{ "metadict_name":"abinit_autogenerated", "metadict_description":[ "autogenerated nomad meta info for the ABINIT ", "parser"], "metadict_version":"0.1", "metadict_require":[{ "metadict_required_name":"common" }], "meta_info_entry":[{ "meta_name":"x_abinit_section_dataset", "meta_type":"type-section", "meta_description":"-", "meta_parent_section":"section_run", "meta_repeats":true, "meta_context_identifier":[] },{ "meta_name":"x_abinit_section_input", "meta_type":"type-section", "meta_description":"-", "meta_parent_section":"x_abinit_section_dataset", "meta_repeats":true, "meta_context_identifier":[] },{ "meta_name":"x_abinit_var", "meta_type":"type-abstract", "meta_description":"section describing the ABINIT variables" },{ "meta_name":"x_abinit_var_accuracy", "meta_type":"type-value", "meta_description":"ABINIT variable ACCURACY", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_acell", "meta_type":"type-value", "meta_description":"ABINIT variable CELL lattice vector scaling", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }], "meta_units":"bohr" },{ "meta_name":"x_abinit_var_adpimd", "meta_type":"type-value", "meta_description":[ "ABINIT variable ADiabatic Path-Integral Molecular ", "Dynamics"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_adpimd_gamma", "meta_type":"type-value", "meta_description":[ "ABINIT variable ADiabatic Path-Integral Molecular Dynamics: GAMMA ", "factor"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_algalch", "meta_type":"type-value", "meta_description":[ "ABINIT variable ALGorithm for generating ALCHemical ", "pseudopotentials"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypalch" }] },{ "meta_name":"x_abinit_var_amu", "meta_type":"type-value", "meta_description":"ABINIT variable Atomic Mass Units", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }] },{ "meta_name":"x_abinit_var_angdeg", "meta_type":"type-value", "meta_description":"ABINIT variable ANGles in DEGrees", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_asr", "meta_type":"type-value", "meta_description":"ABINIT variable Acoustic Sum Rule", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_atvshift", "meta_type":"type-value", "meta_description":[ "ABINIT variable ATomic potential (V) energy ", "SHIFTs"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_natom" },{ "meta_dimension_symbolic":"x_abinit_var_nsppol" },{ "meta_dimension_symbolic":"x_abinit_var_natvshift" }] },{ "meta_name":"x_abinit_var_autoparal", "meta_type":"type-value", "meta_description":"ABINIT variable AUTOmatisation of the PARALlelism", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_awtr", "meta_type":"type-value", "meta_description":[ "ABINIT variable evaluate the Adler-Wiser expression of $\\chi^{0}_{KS}$ assuming ", "Time-Reversal"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bandpp", "meta_type":"type-value", "meta_description":"ABINIT variable BAND Per Processor", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bdberry", "meta_type":"type-value", "meta_description":"ABINIT variable BanD limits for BERRY phase", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":4 }] },{ "meta_name":"x_abinit_var_bdeigrf", "meta_type":"type-value", "meta_description":[ "ABINIT variable BanD for second-order EIGenvalues from ", "Response-Function"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bdgw", "meta_type":"type-value", "meta_description":"ABINIT variable BanDs for GW calculation", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nsppol" },{ "meta_dimension_symbolic":"x_abinit_var_nkptgw" },{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_berryopt", "meta_type":"type-value", "meta_description":"ABINIT variable BERRY phase OPTions", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_berrysav", "meta_type":"type-value", "meta_description":"ABINIT variable BERRY SAVe", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_berrystep", "meta_type":"type-value", "meta_description":"ABINIT variable BERRY phase : multiple STEP", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bfield", "meta_type":"type-value", "meta_description":"ABINIT variable finite B FIELD calculation", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_bmass", "meta_type":"type-value", "meta_description":"ABINIT variable Barostat MASS", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_boxcenter", "meta_type":"type-value", "meta_description":"ABINIT variable BOX CENTER", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_boxcutmin", "meta_type":"type-value", "meta_description":"ABINIT variable BOX CUT-off MINimum", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_brvltt", "meta_type":"type-value", "meta_description":"ABINIT variable BRaVais LaTTice type", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_algorithm", "meta_type":"type-value", "meta_description":"ABINIT variable Bethe-Salpeter ALGORITHM", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_calctype", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter CALCulation ", "TYPE"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_coulomb_term", "meta_type":"type-value", "meta_description":"ABINIT variable Bethe-Salpeter COULOMB TERM", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_coupling", "meta_type":"type-value", "meta_description":"ABINIT variable Bethe-Salpeter COUPLING", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_eh_cutoff", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter Electron-Hole ", "CUTOFF"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_bs_exchange_term", "meta_type":"type-value", "meta_description":"ABINIT variable Bethe-Salpeter EXCHANGE TERM", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_freq_mesh", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter FREQuency ", "MESH"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }], "meta_units":"hartree" },{ "meta_name":"x_abinit_var_bs_hayd_term", "meta_type":"type-value", "meta_description":"ABINIT variable Bethe-Salpeter HAYdock TERMinator", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_haydock_niter", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter HAYDOCK Number of ", "Iterations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_haydock_tol", "meta_type":"type-value", "meta_description":"ABINIT variable Bethe-Salpeter HAYDOCK TOLerance", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_bs_interp_kmult", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter INTERPolation K-point MULTiplication ", "factors"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_bs_interp_m3_width", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter INTERPolation Method3 ", "WIDTH"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_bs_interp_method", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter INTERPolation ", "METHOD"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_interp_mode", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter INTERPolation ", "MODE"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_interp_prep", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter INTERPolation ", "PREParation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_interp_rl_nb", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter INTERPolation Rohlfing & Louie ", "NeighBour"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bs_loband", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter Lowest Occupied ", "BAND"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nsppol" }] },{ "meta_name":"x_abinit_var_bs_nstates", "meta_type":"type-value", "meta_description":[ "ABINIT variable Bethe-Salpeter Number of ", "States"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_builtintest", "meta_type":"type-value", "meta_description":"ABINIT variable BUIT-IN TEST number", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_bxctmindg", "meta_type":"type-value", "meta_description":[ "ABINIT variable BoX CuT-off MINimum for the Double Grid ", "(PAW)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_cd_customnimfrqs", "meta_type":"type-value", "meta_description":[ "ABINIT variable Contour Deformation Custom Imaginary ", "Frequencies"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_cd_frqim_method", "meta_type":"type-value", "meta_description":[ "ABINIT variable Contour Deformation Imaginary Frequency integration ", "Method"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_cd_full_grid", "meta_type":"type-value", "meta_description":[ "ABINIT variable Contour Deformation Full Grid in complex ", "plane"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_cd_halfway_freq", "meta_type":"type-value", "meta_description":[ "ABINIT variable Contour Deformation tangent grid Halfway ", "Frequency"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_cd_imfrqs", "meta_type":"type-value", "meta_description":[ "ABINIT variable Contour Deformation Imaginary ", "Frequencies"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_cd_customnimfrqs" }] },{ "meta_name":"x_abinit_var_cd_max_freq", "meta_type":"type-value", "meta_description":[ "ABINIT variable Contour Deformation grid Maximum ", "Frequency"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_cd_subset_freq", "meta_type":"type-value", "meta_description":[ "ABINIT variable Contour Deformation grid calculate Subset of ", "Frequencies"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_cgtyphf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Conjugate Gradient TYpe used for Hartree Fock exact ", "exchange"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_charge", "meta_type":"type-value", "meta_description":"ABINIT variable CHARGE", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_chkexit", "meta_type":"type-value", "meta_description":[ "ABINIT variable CHecK whether the user want to ", "EXIT"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_chkprim", "meta_type":"type-value", "meta_description":[ "ABINIT variable CHecK whether the cell is ", "PRIMitive"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_chksymbreak", "meta_type":"type-value", "meta_description":"ABINIT variable CHecK SYMmetry BREAKing", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_chneut", "meta_type":"type-value", "meta_description":"ABINIT variable CHarge NEUTrality treatment ", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_cineb_start", "meta_type":"type-value", "meta_description":[ "ABINIT variable Climbing-Image Nudged Elastic Band: STARTing ", "iteration"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_cpuh", "meta_type":"type-value", "meta_description":"ABINIT variable CPU time limit in Hours", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_cpum", "meta_type":"type-value", "meta_description":"ABINIT variable CPU time limit in Minutes", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_cpus", "meta_type":"type-value", "meta_description":"ABINIT variable CPU time limit in seconds", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_d3e_pert1_atpol", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 1: limits of ", "ATomic POLarisations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_d3e_pert1_dir", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 1: ", "DIRections"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_d3e_pert1_elfd", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 1: ELectric ", "FielD"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_d3e_pert1_phon", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 1: ", "PHONons"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_d3e_pert2_atpol", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 2: limits of ", "ATomic POLarisations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_d3e_pert2_dir", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 2: ", "DIRections"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_d3e_pert2_elfd", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 2: ELectric ", "FielD"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_d3e_pert2_phon", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 2: ", "PHONons"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_d3e_pert3_atpol", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 3: limits of ", "ATomic POLarisations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_d3e_pert3_dir", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 3: ", "DIRections"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_d3e_pert3_elfd", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 3: ELectric ", "FielD"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_d3e_pert3_phon", "meta_type":"type-value", "meta_description":[ "ABINIT variable 3rd Derivative of Energy, mixed PERTurbation 3: ", "PHONons"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ddamp", "meta_type":"type-value", "meta_description":[ "ABINIT variable electric Displacement field DAMPing ", "parameter"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_ddb_ngqpt", "meta_type":"type-value", "meta_description":[ "ABINIT variable Derivative DatabBase: Number of Grid points for ", "Q-PoinTs"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_delayperm", "meta_type":"type-value", "meta_description":[ "ABINIT variable DELAY between trials to PERMUTE ", "atoms"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_densfor_pred", "meta_type":"type-value", "meta_description":"ABINIT variable DENSity and FORces PREDictor", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_densty", "meta_type":"type-value", "meta_description":[ "ABINIT variable initial DENSity for each TYpe of ", "atom"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }] },{ "meta_name":"x_abinit_var_dfield", "meta_type":"type-value", "meta_description":"ABINIT variable Displacement FIELD", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_dfpt_sciss", "meta_type":"type-value", "meta_description":"ABINIT variable DFPT SCISSor operator", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_diecut", "meta_type":"type-value", "meta_description":[ "ABINIT variable DIElectric matrix Energy ", "CUToff"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_diegap", "meta_type":"type-value", "meta_description":"ABINIT variable DIElectric matrix GAP", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_dielam", "meta_type":"type-value", "meta_description":"ABINIT variable DIElectric matrix LAMbda", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_dielng", "meta_type":"type-value", "meta_description":[ "ABINIT variable model DIElectric screening ", "LeNGth"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_diemac", "meta_type":"type-value", "meta_description":[ "ABINIT variable model DIElectric MACroscopic ", "constant"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_diemix", "meta_type":"type-value", "meta_description":"ABINIT variable model DIElectric MIXing factor", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_diemixmag", "meta_type":"type-value", "meta_description":[ "ABINIT variable model DIElectric MIXing factor for the ", "MAGgnetization"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_diismemory", "meta_type":"type-value", "meta_description":[ "ABINIT variable Direct Inversion in the Iterative Subspace ", "MEMORY"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dilatmx", "meta_type":"type-value", "meta_description":"ABINIT variable DILATation : MaXimal value", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_dipdip", "meta_type":"type-value", "meta_description":"ABINIT variable DIPole-DIPole interaction ", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmatpawu", "meta_type":"type-value", "meta_description":[ "ABINIT variable initial Density MATrix for ", "PAW+U"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_natpawu" },{ "meta_dimension_symbolic":"max(x_abinit_var_nsppol, x_abinit_var_nspinor)" },{ "meta_dimension_symbolic":"2*max(x_abinit_var_lpawu)+1" },{ "meta_dimension_symbolic":"2*max(x_abinit_var_lpawu)+1" }] },{ "meta_name":"x_abinit_var_dmatpuopt", "meta_type":"type-value", "meta_description":[ "ABINIT variable Density MATrix for PAW+U ", "OPTion"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmatudiag", "meta_type":"type-value", "meta_description":[ "ABINIT variable Density MATrix for paw+U, ", "DIAGonalization"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmft_dc", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Double ", "Counting"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmft_entropy", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: ", "ENTROPY"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmft_iter", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: number of ", "ITERation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmft_mxsf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: MiXing parameter for the SelF ", "energy"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_dmft_nlambda", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Number of LAMBDA ", "points"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmft_nwli", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Number of frequency omega (W) in ", "the LInear mesh"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmft_nwlo", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Number of frequency omega (W) in ", "the log mesh"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmft_read_occnd", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Read Occupations (Non ", "Diagonal)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmft_rslf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Read SeLF ", "energy"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmft_solv", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: choice of ", "SOLVer"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_dmft_t2g", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: t2g ", "orbitals"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmft_tollc", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Tolerance on Local Charge for ", "convergence of the DMFT loop"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_dmftbandf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Field Theory: BAND: ", "Final"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftbandi", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Field Theory: BAND: ", "Initial"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftcheck", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: ", "CHECKs"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftctqmc_basis", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Continuous Time Quantum Monte Carlo ", "basis"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftctqmc_check", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Continuous Time Quantum Monte Carlo ", "check"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftctqmc_correl", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Continuous Time Quantum Monte Carlo ", "CORRelations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftctqmc_gmove", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Continuous Time Quantum Monte Carlo ", "Global MOVEs"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftctqmc_grnns", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Continuous Time Quantum Monte Carlo ", "GReeNs NoiSe"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftctqmc_meas", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Continuous Time Quantum Monte Carlo ", "MEASurements"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftctqmc_mov", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Continuous Time Quantum Monte Carlo ", "MOVie"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftctqmc_mrka", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Continuous Time Quantum Monte Carlo ", "MARKov Analysis"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftctqmc_order", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Continuous Time Quantum Monte Carlo ", "perturbation ORDER"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftqmc_l", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Quantum Monte Carlo time ", "sLices"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftqmc_n", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Quantum Monte Carlo ", "sweeps"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_dmftqmc_seed", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Quantum Monte Carlo ", "seed"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dmftqmc_therm", "meta_type":"type-value", "meta_description":[ "ABINIT variable Dynamical Mean Fied Theory: Quantum Monte Carlo ", "THERMalization"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_dosdeltae", "meta_type":"type-value", "meta_description":"ABINIT variable DOS Delta in Energy", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_dtion", "meta_type":"type-value", "meta_description":"ABINIT variable Delta Time for IONs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_dynimage", "meta_type":"type-value", "meta_description":"ABINIT variable DYNamics of the IMAGE", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nimage" }] },{ "meta_name":"x_abinit_var_ecut", "meta_type":"type-value", "meta_description":"ABINIT variable Energy CUToff", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_ecuteps", "meta_type":"type-value", "meta_description":[ "ABINIT variable Energy CUT-off for EPSilon (the dielectric ", "matrix)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_ecutsigx", "meta_type":"type-value", "meta_description":[ "ABINIT variable Energy CUT-off for SIGma ", "eXchange"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_ecutsm", "meta_type":"type-value", "meta_description":"ABINIT variable Energy CUToff SMearing", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_ecutwfn", "meta_type":"type-value", "meta_description":"ABINIT variable Energy CUT-off for WaveFunctions", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_effmass", "meta_type":"type-value", "meta_description":"ABINIT variable EFFective MASS", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_efield", "meta_type":"type-value", "meta_description":"ABINIT variable Electric FIELD", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_efmas", "meta_type":"type-value", "meta_description":"ABINIT variable EFfective MASs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_efmas_bands", "meta_type":"type-value", "meta_description":[ "ABINIT variable EFfective MASs, BANDS to be ", "treated."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nkpt" },{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_efmas_calc_dirs", "meta_type":"type-value", "meta_description":[ "ABINIT variable EFfective MASs, CALCulate along ", "DIRectionS"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_efmas_deg", "meta_type":"type-value", "meta_description":[ "ABINIT variable EFfective MASs, activate DEGenerate ", "formalism"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_efmas_deg_tol", "meta_type":"type-value", "meta_description":[ "ABINIT variable EFfective MASs, DEGeneracy ", "TOLerance"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_efmas_dim", "meta_type":"type-value", "meta_description":[ "ABINIT variable EFfective MASs, DIMension of the effective mass ", "tensor"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_efmas_dirs", "meta_type":"type-value", "meta_description":[ "ABINIT variable EFfective MASs, DIRectionS to be ", "calculated"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_efmas_n_dirs" },{ "meta_dimension_symbolic":"3 or 2" }] },{ "meta_name":"x_abinit_var_efmas_n_dirs", "meta_type":"type-value", "meta_description":[ "ABINIT variable EFfective MASs, Number of ", "DIRectionS"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_efmas_ntheta", "meta_type":"type-value", "meta_description":[ "ABINIT variable EFfective MASs, Number of points for integration w/r to ", "THETA"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_elph2_imagden", "meta_type":"type-value", "meta_description":[ "ABINIT variable ELectron-PHonon interaction at 2nd order : IMAGina y shoft of ", "the DENominator"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_enunit", "meta_type":"type-value", "meta_description":"ABINIT variable ENergy UNITs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_eph_extrael", "meta_type":"type-value", "meta_description":"ABINIT variable Electron-PHonon: EXTRA ELectrons", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_eph_fermie", "meta_type":"type-value", "meta_description":"ABINIT variable Electron-PHonon: Fermi Energy", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_eph_fsewin", "meta_type":"type-value", "meta_description":[ "ABINIT variable Electron-Phonon: Fermi Surface Energy ", "WINdow"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_eph_fsmear", "meta_type":"type-value", "meta_description":[ "ABINIT variable Electron-PHonon: Fermi surface ", "SMEARing"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_eph_intmeth", "meta_type":"type-value", "meta_description":[ "ABINIT variable Electron-Phonon: INTegration ", "METHod"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_eph_mustar", "meta_type":"type-value", "meta_description":"ABINIT variable MU STAR", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_eph_ngqpt_fine", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Grid Q-Points in FINE ", "grid."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_eshift", "meta_type":"type-value", "meta_description":"ABINIT variable Energy SHIFT", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_esmear", "meta_type":"type-value", "meta_description":"ABINIT variable Eigenvalue SMEARing", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_exchmix", "meta_type":"type-value", "meta_description":"ABINIT variable EXCHange MIXing", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_exchn2n3d", "meta_type":"type-value", "meta_description":"ABINIT variable EXCHange N2 and N3 Dimensions", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_extrapwf", "meta_type":"type-value", "meta_description":[ "ABINIT variable flag - EXTRAPolation of the ", "Wave-Functions"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_f4of2_sla", "meta_type":"type-value", "meta_description":[ "ABINIT variable F4 Over F2 ratio of Slater ", "integrals"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_f6of2_sla", "meta_type":"type-value", "meta_description":[ "ABINIT variable F6 Over F2 ratio of Slater ", "integrals"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_fband", "meta_type":"type-value", "meta_description":[ "ABINIT variable Factor for the number of ", "BANDs"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_fermie_nest", "meta_type":"type-value", "meta_description":[ "ABINIT variable FERMI Energy for printing the NESTing ", "function"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_fftalg", "meta_type":"type-value", "meta_description":"ABINIT variable Fast Fourier Transform ALGorithm", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_fftcache", "meta_type":"type-value", "meta_description":[ "ABINIT variable Fast Fourier Transform CACHE ", "size"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_fftgw", "meta_type":"type-value", "meta_description":"ABINIT variable FFT for GW calculation", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_freqim_alpha", "meta_type":"type-value", "meta_description":[ "ABINIT variable FREQuencies along the IMaginary axis ALPHA ", "parameter"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_freqremax", "meta_type":"type-value", "meta_description":[ "ABINIT variable FREQuencies along the Real axis ", "MAXimum"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_freqremin", "meta_type":"type-value", "meta_description":[ "ABINIT variable FREQuencies along the Real axis ", "MINimum"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_freqspmax", "meta_type":"type-value", "meta_description":[ "ABINIT variable FREQuencies for the SPectral function ", "MAXimum"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_freqspmin", "meta_type":"type-value", "meta_description":[ "ABINIT variable FREQuencies for the SPectral function ", "MINimum"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_friction", "meta_type":"type-value", "meta_description":"ABINIT variable internal FRICTION coefficient", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_frzfermi", "meta_type":"type-value", "meta_description":"ABINIT variable FReeZe FERMI energy", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_fxcartfactor", "meta_type":"type-value", "meta_description":[ "ABINIT variable Forces to (X) CARTesian coordinates ", "FACTOR"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_ga_algor", "meta_type":"type-value", "meta_description":"ABINIT variable Genetic Algorithm selection", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ga_fitness", "meta_type":"type-value", "meta_description":[ "ABINIT variable Genetic Algorithm FITNESS function ", "selection"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ga_n_rules", "meta_type":"type-value", "meta_description":[ "ABINIT variable Genetic Algorithm Number of ", "RULES"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ga_opt_percent", "meta_type":"type-value", "meta_description":[ "ABINIT variable Genetic Algorithm OPTIMAL ", "PERCENT"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_ga_rules", "meta_type":"type-value", "meta_description":"ABINIT variable Genetic Algorithm RULES", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_genafm", "meta_type":"type-value", "meta_description":[ "ABINIT variable GENerator of the translation for Anti-FerroMagnetic space ", "group"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_get1den", "meta_type":"type-value", "meta_description":[ "ABINIT variable GET the first-order density from _DEN ", "file"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_get1wf", "meta_type":"type-value", "meta_description":"ABINIT variable GET the first-order wavefunctions from _1WF file ", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getbscoup", "meta_type":"type-value", "meta_description":[ "ABINIT variable GET the Bethe-Salpeter COUPling block from ", "..."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getbseig", "meta_type":"type-value", "meta_description":[ "ABINIT variable GET the Bethe-Salpeter EIGenstates from ", "..."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getbsreso", "meta_type":"type-value", "meta_description":[ "ABINIT variable GET the Bethe-Salpeter RESOnant block from ", "..."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getcell", "meta_type":"type-value", "meta_description":[ "ABINIT variable GET CELL parameters from ", "..."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getddb", "meta_type":"type-value", "meta_description":"ABINIT variable GET the DDB from ...", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getddk", "meta_type":"type-value", "meta_description":[ "ABINIT variable GET the ddk wavefunctions from _1WF ", "file"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getden", "meta_type":"type-value", "meta_description":"ABINIT variable GET the DENsity from ...", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getgam_eig2nkq", "meta_type":"type-value", "meta_description":[ "ABINIT variable GET the GAMma phonon data EIG2NKQ from ", "dataset"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gethaydock", "meta_type":"type-value", "meta_description":[ "ABINIT variable GET the Haydock restart file from ", "..."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getocc", "meta_type":"type-value", "meta_description":"ABINIT variable GET OCC parameters from ...", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getqps", "meta_type":"type-value", "meta_description":"ABINIT variable GET QuasiParticle Structure", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getscr", "meta_type":"type-value", "meta_description":[ "ABINIT variable GET SCReening (the inverse dielectric matrix) from ", "..."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getsuscep", "meta_type":"type-value", "meta_description":[ "ABINIT variable GET SUSCEPtibility (the irreducible polarizability) from ", "..."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getvel", "meta_type":"type-value", "meta_description":"ABINIT variable GET VEL from ...", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getwfk", "meta_type":"type-value", "meta_description":"ABINIT variable Integer that governs the ReaDing of _1WF files ", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getwfkfine", "meta_type":"type-value", "meta_description":[ "ABINIT variable GET the fine grid wavefunctions from _WFK ", "file"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getwfq", "meta_type":"type-value", "meta_description":"ABINIT variable GET the wavefunctions from _WFQ file ", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getxcart", "meta_type":"type-value", "meta_description":"ABINIT variable GET XCART from ...", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_getxred", "meta_type":"type-value", "meta_description":"ABINIT variable GET XRED from ...", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_goprecon", "meta_type":"type-value", "meta_description":[ "ABINIT variable Geometry Optimization PRECONditioner ", "equations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_goprecprm", "meta_type":"type-value", "meta_description":[ "ABINIT variable Geometry Optimization PREconditioner PaRaMeters ", "equations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_gpu_devices", "meta_type":"type-value", "meta_description":[ "ABINIT variable GPU: choice of DEVICES on one ", "node"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":5 }] },{ "meta_name":"x_abinit_var_gpu_linalg_limit", "meta_type":"type-value", "meta_description":[ "ABINIT variable GPU (Cuda): LINear ALGebra ", "LIMIT"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gw_customnfreqsp", "meta_type":"type-value", "meta_description":"ABINIT variable GW CUSTOM SPectral FREQuencies", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gw_freqsp", "meta_type":"type-value", "meta_description":"ABINIT variable GW SPectral FREQuencies", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_gw_customnfreqsp" }] },{ "meta_name":"x_abinit_var_gw_frqim_inzgrid", "meta_type":"type-value", "meta_description":[ "ABINIT variable Contour Deformation Imaginary Frequencies Inverse Z ", "Grid"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gw_frqre_inzgrid", "meta_type":"type-value", "meta_description":[ "ABINIT variable Contour Deformation Real Frequencies Inverse Z ", "Grid"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gw_frqre_tangrid", "meta_type":"type-value", "meta_description":[ "ABINIT variable Contour Deformation Use Tangent ", "Grid"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gw_invalid_freq", "meta_type":"type-value", "meta_description":[ "ABINIT variable Invalid Frequency for Hybertsen-Louie ", "PPM"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gw_nqlwl", "meta_type":"type-value", "meta_description":[ "ABINIT variable GW, Number of Q-points for the Long Wave-Length ", "Limit"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gw_nstep", "meta_type":"type-value", "meta_description":[ "ABINIT variable GW Number of self-consistent ", "STEPS"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gw_qlwl", "meta_type":"type-value", "meta_description":[ "ABINIT variable GW, Q-points for the Long Wave-Length ", "Limit"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_gw_nqlwl" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_gw_qprange", "meta_type":"type-value", "meta_description":[ "ABINIT variable GW Policy for K-point and Bands ", "selection"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gw_sctype", "meta_type":"type-value", "meta_description":"ABINIT variable GW, Self-Consistency TYPE", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gw_sigxcore", "meta_type":"type-value", "meta_description":"ABINIT variable GW, treatment of the ...", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gw_toldfeig", "meta_type":"type-value", "meta_description":[ "ABINIT variable GW TOLerance on the DiFference of the ", "EIGenvalues"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_gwcalctyp", "meta_type":"type-value", "meta_description":"ABINIT variable GW CALCulation TYPe", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwcomp", "meta_type":"type-value", "meta_description":"ABINIT variable GW COMPletness", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwencomp", "meta_type":"type-value", "meta_description":"ABINIT variable GW Energy for COMPletness", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_gwgamma", "meta_type":"type-value", "meta_description":"ABINIT variable GW Gamma", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_band_index", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS BAND INDEX", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_correlation", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS CORRELATION", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_dielectric_model", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS dielectric model", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_exchange", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS exact EXCHANGE", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_first_seed", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS FIRST SEED vector", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_kmax_analytic", "meta_type":"type-value", "meta_description":[ "ABINIT variable GWLS KMAX for the ANALYTIC ", "term"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_kmax_complement", "meta_type":"type-value", "meta_description":[ "ABINIT variable GWLS KMAX for the COMPLEMENT ", "space."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_kmax_numeric", "meta_type":"type-value", "meta_description":[ "ABINIT variable GWLS KMAX for the NUMERIC ", "term"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_kmax_poles", "meta_type":"type-value", "meta_description":[ "ABINIT variable GWLS KMAX for the calculation of the POLES ", "residue"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_list_proj_freq", "meta_type":"type-value", "meta_description":[ "ABINIT variable GWLS LIST of the PROJection ", "FREQuencies"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_gwls_n_proj_freq" }] },{ "meta_name":"x_abinit_var_gwls_model_parameter", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS model parameter", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_gwls_n_proj_freq", "meta_type":"type-value", "meta_description":[ "ABINIT variable GWLS Number of PROJection ", "FREQuencies"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_npt_gauss_quad", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS Number of PoinTs to use for the GAUSSian QUADrature ", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_nseeds", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS Number of SEED vectorS", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_print_debug", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS PRINT level for DEBUGging", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_recycle", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS RECYCLE", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwls_second_model_parameter", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS second model parameter", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_gwls_sternheimer_kmax", "meta_type":"type-value", "meta_description":"ABINIT variable GWLS Kmax", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwmem", "meta_type":"type-value", "meta_description":"ABINIT variable GW MEMory", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwpara", "meta_type":"type-value", "meta_description":"ABINIT variable GW PARAllelization level", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_gwrpacorr", "meta_type":"type-value", "meta_description":"ABINIT variable GW RPA CORRelation energy", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_iatcon", "meta_type":"type-value", "meta_description":[ "ABINIT variable Indices of AToms in CONstraint ", "equations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nconeq" },{ "meta_dimension_symbolic":"x_abinit_var_natcon" }] },{ "meta_name":"x_abinit_var_iatfix", "meta_type":"type-value", "meta_description":"ABINIT variable Indices of AToms that are FIXed ", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_natfix" }] },{ "meta_name":"x_abinit_var_iatfixx", "meta_type":"type-value", "meta_description":[ "ABINIT variable Indices of AToms that are FIXed along the X ", "direction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_natfixx" }] },{ "meta_name":"x_abinit_var_iatfixy", "meta_type":"type-value", "meta_description":[ "ABINIT variable Indices of AToms that are FIXed along the Y ", "direction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_natfixy" }] },{ "meta_name":"x_abinit_var_iatfixz", "meta_type":"type-value", "meta_description":[ "ABINIT variable Indices of AToms that are FIXed along the Z ", "direction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_natfixz" }] },{ "meta_name":"x_abinit_var_iatsph", "meta_type":"type-value", "meta_description":[ "ABINIT variable Index for the ATomic SPHeres of the atom-projected ", "density-of-states"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_natsph" }] },{ "meta_name":"x_abinit_var_iboxcut", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer governing the internal use of BOXCUT - not a very good ", "choice of variable name"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_icoulomb", "meta_type":"type-value", "meta_description":"ABINIT variable Coulomb TReaTMenT", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_icutcoul", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the CUT-off for COULomb ", "interaction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ieig2rf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer for second-order EIGenvalues from ", "Response-Function"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_imgmov", "meta_type":"type-value", "meta_description":"ABINIT variable IMaGe MOVEs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_inclvkb", "meta_type":"type-value", "meta_description":"ABINIT variable INCLude VKB", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_intxc", "meta_type":"type-value", "meta_description":"ABINIT variable INTerpolation for eXchange-Correlation", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_iomode", "meta_type":"type-value", "meta_description":"ABINIT variable IO MODE", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ionmov", "meta_type":"type-value", "meta_description":"ABINIT variable IONic MOVEs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_iprcel", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer for PReConditioning of ELectron ", "response"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_iprcfc", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer for PReConditioner of Force ", "Constants"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_iqpt", "meta_type":"type-value", "meta_description":"ABINIT variable Index for QPoinT generation", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irandom", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer for the choice of the RANDOM number ", "generator"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ird1den", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of 1st-order DEN ", "file"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ird1wf", "meta_type":"type-value", "meta_description":"ABINIT variable Integer that governs the ReaDing of _1WF files ", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdbscoup", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of COUPling ", "block"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdbseig", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of BS_EIG ", "file"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdbsreso", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of RESOnant ", "block"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdddb", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of DDB ", "file"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdddk", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of DDK wavefunctions, in _1WF ", "files"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdden", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of DEN ", "file"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdhaydock", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of the HAYDOCK restart ", "file"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdqps", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of QuasiParticle ", "Structure"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdscr", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of the ", "SCReening"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdsuscep", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of the ", "SUSCEPtibility"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdvdw", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of _VDW ", "files"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdwfk", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of _WFK ", "files"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdwfkfine", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of the fine grid _WFK ", "files"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_irdwfq", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer that governs the ReaDing of _WFQ ", "files"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_iscf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer for Self-Consistent-Field ", "cycles"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_isecur", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer for level of SECURity ", "choice"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_istatimg", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer governing the computation of STATic ", "IMaGes"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_istatr", "meta_type":"type-value", "meta_description":"ABINIT variable Integer for STATus file SHiFT", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_istatshft", "meta_type":"type-value", "meta_description":"ABINIT variable Integer for STATus file SHiFT", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_istwfk", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer for choice of STorage of WaveFunction at each k ", "point"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nkpt" }] },{ "meta_name":"x_abinit_var_ixc", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer for eXchange-Correlation ", "choice"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ixcpositron", "meta_type":"type-value", "meta_description":[ "ABINIT variable Integer for the eXchange-Correlation applied to the ", "electron-POSITRON interaction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_jdtset", "meta_type":"type-value", "meta_description":"ABINIT variable index -J- for DaTaSETs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ndtset" }] },{ "meta_name":"x_abinit_var_jellslab", "meta_type":"type-value", "meta_description":[ "ABINIT variable include a JELLium SLAB in the ", "cell"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_jfielddir", "meta_type":"type-value", "meta_description":[ "ABINIT variable electric/displacement FIELD ", "DIRection"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_jpawu", "meta_type":"type-value", "meta_description":"ABINIT variable value of J for PAW+U", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }], "meta_units":"hartree" },{ "meta_name":"x_abinit_var_kberry", "meta_type":"type-value", "meta_description":[ "ABINIT variable K wavevectors for BERRY phase ", "computation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nberry" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_kpt", "meta_type":"type-value", "meta_description":"ABINIT variable K - PoinTs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nkpt" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_kptbounds", "meta_type":"type-value", "meta_description":"ABINIT variable K PoinTs BOUNDarieS", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"abs(x_abinit_var_kptopt)+1)" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_kptgw", "meta_type":"type-value", "meta_description":"ABINIT variable K-PoinTs for GW calculations", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nkptgw" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_kptnrm", "meta_type":"type-value", "meta_description":"ABINIT variable K - PoinTs NoRMalization", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_kptns", "meta_type":"type-value", "meta_description":[ "ABINIT variable K-PoinTs re-Normalized and ", "Shifted"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nkpt" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_kptopt", "meta_type":"type-value", "meta_description":"ABINIT variable KPoinTs OPTion", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_kptrlatt", "meta_type":"type-value", "meta_description":[ "ABINIT variable K - PoinTs grid : Real space ", "LATTice"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_kptrlen", "meta_type":"type-value", "meta_description":[ "ABINIT variable K - PoinTs grid : Real space ", "LENgth"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_kssform", "meta_type":"type-value", "meta_description":[ "ABINIT variable Kohn Sham Structure file ", "FORMat"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_lexexch", "meta_type":"type-value", "meta_description":[ "ABINIT variable value of angular momentum L for EXact ", "EXCHange"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }] },{ "meta_name":"x_abinit_var_localrdwf", "meta_type":"type-value", "meta_description":"ABINIT variable LOCAL ReaD WaveFunctions", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_lotf_classic", "meta_type":"type-value", "meta_description":[ "ABINIT variable LOTF classic model for Glue ", "model"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_lotf_nitex", "meta_type":"type-value", "meta_description":"ABINIT variable LOTF number of iterations", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_lotf_nneigx", "meta_type":"type-value", "meta_description":"ABINIT variable LOTF max number of neighbours", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_lotf_version", "meta_type":"type-value", "meta_description":"ABINIT variable LOTF version of MD algorithm", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_lpawu", "meta_type":"type-value", "meta_description":[ "ABINIT variable value of angular momentum L for ", "PAW+U"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }] },{ "meta_name":"x_abinit_var_macro_uj", "meta_type":"type-value", "meta_description":[ "ABINIT variable Macro variable that activates the determination of the U and J ", "parameter (for the PAW+U calculations)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_magcon_lambda", "meta_type":"type-value", "meta_description":[ "ABINIT variable MAGnetization CONstraint LAMBDA ", "parameter"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_magconon", "meta_type":"type-value", "meta_description":[ "ABINIT variable turn MAGnetization CONstraint ", "ON"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_max_ncpus", "meta_type":"type-value", "meta_description":"ABINIT variable MAXimum Number of CPUS", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_maxestep", "meta_type":"type-value", "meta_description":"ABINIT variable MAXimum Electric field STEP", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_maxnsym", "meta_type":"type-value", "meta_description":"ABINIT variable MAXimum Number of SYMetries", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_mband", "meta_type":"type-value", "meta_description":"ABINIT variable Maximum number of BANDs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_mbpt_sciss", "meta_type":"type-value", "meta_description":[ "ABINIT variable Many Body Perturbation Theory SCISSor ", "operator"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_mdf_epsinf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Model dielectric function, epsilon ", "infinity"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_mdtemp", "meta_type":"type-value", "meta_description":"ABINIT variable Molecular Dynamics Temperatures", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_mdwall", "meta_type":"type-value", "meta_description":"ABINIT variable Molecular Dynamics WALL location", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_mem_test", "meta_type":"type-value", "meta_description":"ABINIT variable MEMory TEST", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_mep_mxstep", "meta_type":"type-value", "meta_description":[ "ABINIT variable Minimal Energy Path search: MaXimum allowed STEP ", "size"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"bohr" },{ "meta_name":"x_abinit_var_mep_solver", "meta_type":"type-value", "meta_description":[ "ABINIT variable Minimal Energy Path ordinary differential equation ", "SOLVER"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_mgfft", "meta_type":"type-value", "meta_description":"ABINIT variable Maximum of nGFFT", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_mgfftdg", "meta_type":"type-value", "meta_description":[ "ABINIT variable Maximum of nGFFT for the Double ", "Grid"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_mixalch", "meta_type":"type-value", "meta_description":[ "ABINIT variable MIXing coefficients for ALCHemical ", "potentials"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypalch" },{ "meta_dimension_symbolic":"x_abinit_var_npspalch" }] },{ "meta_name":"x_abinit_var_mpw", "meta_type":"type-value", "meta_description":"ABINIT variable Maximum number of Plane Waves", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_mqgrid", "meta_type":"type-value", "meta_description":[ "ABINIT variable Maximum number of Q-space GRID points for ", "pseudopotentials"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_mqgriddg", "meta_type":"type-value", "meta_description":[ "ABINIT variable Maximum number of Q-wavevectors for the 1-dimensional GRID for ", "the Double Grid in PAW"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_natcon", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of AToms in CONstraint ", "equations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nconeq" }] },{ "meta_name":"x_abinit_var_natfix", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Atoms that are ", "FIXed"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_natfixx", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Atoms that are FIXed along the X ", "direction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_natfixy", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Atoms that are FIXed along the Y ", "direction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_natfixz", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Atoms that are FIXed along the Z ", "direction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_natom", "meta_type":"type-value", "meta_description":"ABINIT variable Number of ATOMs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_natpawu", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of AToms on which PAW+U is ", "applied"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_natrd", "meta_type":"type-value", "meta_description":"ABINIT variable Number of AToms ReaD", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_natsph", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of ATomic SPHeres for the atom-projected ", "density-of-states"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_natsph_extra", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of ATomic SPHeres for the l-projected density-of-states ", "in EXTRA set"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_natvshift", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of ATomic potential (V) energy SHIFTs (per ", "atom)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nband", "meta_type":"type-value", "meta_description":"ABINIT variable Number of BANDs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nkpt" },{ "meta_dimension_symbolic":"x_abinit_var_nsppol" }] },{ "meta_name":"x_abinit_var_nbandhf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of BANDs for Fock exact ", "exchange"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nbandkss", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of BANDs in the KSS ", "file"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nbdblock", "meta_type":"type-value", "meta_description":"ABINIT variable Number of BanDs in a BLOCK", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nbdbuf", "meta_type":"type-value", "meta_description":"ABINIT variable Number of BanDs for the BUFfer", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nberry", "meta_type":"type-value", "meta_description":"ABINIT variable Number of BERRY phase computations", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nc_xccc_gspace", "meta_type":"type-value", "meta_description":[ "ABINIT variable Norm-Conserving, use XC Core-Correction in ", "G-space"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nconeq", "meta_type":"type-value", "meta_description":"ABINIT variable Number of CONstraint EQuations", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nctime", "meta_type":"type-value", "meta_description":[ "ABINIT variable NetCdf TIME between output of molecular dynamics ", "informations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ndivk", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of DIVisions of K ", "lines"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"abs(x_abinit_var_kptopt)" }] },{ "meta_name":"x_abinit_var_ndivsm", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of DIVisions for the SMallest ", "segment"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ndtset", "meta_type":"type-value", "meta_description":"ABINIT variable Number of DaTaSETs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ndynimage", "meta_type":"type-value", "meta_description":"ABINIT variable Number of DYNamical IMAGEs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_neb_algo", "meta_type":"type-value", "meta_description":"ABINIT variable Nudged Elastic Band ALGOrithm", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_neb_spring", "meta_type":"type-value", "meta_description":[ "ABINIT variable Nudged Elastic Band: SPRING ", "constant"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_nelect", "meta_type":"type-value", "meta_description":"ABINIT variable Number of ELECTrons", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_nfft", "meta_type":"type-value", "meta_description":"ABINIT variable Number of FFT points", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nfftdg", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of FFT points for the Double ", "Grid"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nfreqim", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of FREQuencies along the IMaginary ", "axis"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nfreqmidm", "meta_type":"type-value", "meta_description":[ "ABINIT variable Nth FREQuencey Moment of the Imaginary part of the Dielectric ", "Matrix"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nfreqre", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of FREQuencies along the REal ", "axis"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nfreqsp", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of FREQuencies for the SPectral ", "function"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ngfft", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Grid points for Fast Fourier ", "Transform"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_ngfftdg", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Grid points for Fast Fourier Transform : Double ", "Grid"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_ngkpt", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Grid points for K PoinTs ", "generation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_ngqpt", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Grid pointsfor Q PoinTs ", "generation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_nimage", "meta_type":"type-value", "meta_description":"ABINIT variable Number of IMAGEs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nkpt", "meta_type":"type-value", "meta_description":"ABINIT variable Number of K - Points", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nkptgw", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of K-PoinTs for GW ", "corrections"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nkpthf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of K - Points for Fock exact ", "exchange"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nline", "meta_type":"type-value", "meta_description":"ABINIT variable Number of LINE minimisations", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nloc_alg", "meta_type":"type-value", "meta_description":"ABINIT variable Non LOCal ALGorithm", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nloc_mem", "meta_type":"type-value", "meta_description":"ABINIT variable Non LOCal MEMOry", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nnos", "meta_type":"type-value", "meta_description":"ABINIT variable Number of nose masses", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nnsclo", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Non-Self Consistent ", "LOops"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nnsclohf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Non-Self Consistent LOops for Fock exact ", "exchange"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nobj", "meta_type":"type-value", "meta_description":"ABINIT variable Number of OBJects", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nomegasf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of OMEGA to evaluate the Spectral ", "Function"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_nomegasi", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of OMEGA(S) along the Imaginary ", "axis"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nomegasrd", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of OMEGA to evaluate the Sigma Real axis ", "Derivative"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_normpawu", "meta_type":"type-value", "meta_description":"ABINIT variable NORMalize atomic PAW+U projector", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }] },{ "meta_name":"x_abinit_var_noseinert", "meta_type":"type-value", "meta_description":"ABINIT variable NOSE thermostat INERTia factor", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_np_slk", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of mpi Processors used for ScaLapacK ", "calls"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npband", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Processors at the BAND ", "level"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npfft", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Processors at the FFT ", "level"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nphf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Processors for Fock exact ", "exchange"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npimage", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Processors at the IMAGE ", "level"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npkpt", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Processors at the K-Point ", "Level"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nppert", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Processors at the PERTurbation ", "level"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npsp", "meta_type":"type-value", "meta_description":"ABINIT variable Number of PSeudoPotentials", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npspalch", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of PSeudoPotentials that are ", "\"ALCHemical\""], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npspinor", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Processors at the SPINOR ", "level"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npulayit", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of PULAY ITerations for SC ", "mixing"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npvel", "meta_type":"type-value", "meta_description":"ABINIT variable Number of Particle VELocities", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npweps", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of PlaneWaves for EPSilon (the dielectric ", "matrix)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npwkss", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of PlaneWaves in the KSS ", "file"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npwsigx", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of PlaneWaves for SIGma ", "eXchange"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_npwwfn", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of PlaneWaves for ", "WaveFunctioNs"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nqpt", "meta_type":"type-value", "meta_description":"ABINIT variable Number of Q - POINTs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nqptdm", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of Q-PoinTs for the Dielectric ", "Matrix"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nscforder", "meta_type":"type-value", "meta_description":"ABINIT variable SCaling Function ORDER", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nshiftk", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of SHIFTs for K point ", "grids"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nshiftq", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of SHIFTs for Q point ", "grids"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nspden", "meta_type":"type-value", "meta_description":"ABINIT variable Number of SPin-DENsity components", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nspinor", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of SPINORial components of the ", "wavefunctions"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nsppol", "meta_type":"type-value", "meta_description":"ABINIT variable Number of SPin POLarization", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nstep", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of (non-)self-consistent field ", "STEPS"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nsym", "meta_type":"type-value", "meta_description":"ABINIT variable Number of SYMmetry operations", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ntime", "meta_type":"type-value", "meta_description":"ABINIT variable Number of TIME steps", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ntimimage", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of TIME steps for IMAGE ", "propagation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ntypalch", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of TYPe of atoms that are ", "\"ALCHemical\""], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ntypat", "meta_type":"type-value", "meta_description":"ABINIT variable Number of TYPEs of atoms", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ntyppure", "meta_type":"type-value", "meta_description":[ "ABINIT variable Number of TYPe of atoms that are ", "\"PURe\""], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_nucdipmom", "meta_type":"type-value", "meta_description":"ABINIT variable NUClear DIPole MOMents", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_natom" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_nwfshist", "meta_type":"type-value", "meta_description":"ABINIT variable Number of WaveFunctionS HISTory", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_objaat", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : list of AToms, OBJect B : list of ", "AToms"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_objan" }] },{ "meta_name":"x_abinit_var_objaax", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : AXis, OBJect B : ", "AXis"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"bohr" },{ "meta_name":"x_abinit_var_objan", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : Number of atoms, OBJect B : Number of ", "atoms"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_objarf", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : Repetition Factors, OBJect B : Repetition ", "Factors"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_objaro", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : ROtations, OBJect B : ", "ROtations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_objatr", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : TRanslations, OBJect B : ", "TRanslations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"bohr" },{ "meta_name":"x_abinit_var_objbat", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : list of AToms, OBJect B : list of ", "AToms"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_objbax", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : AXis, OBJect B : ", "AXis"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"bohr" },{ "meta_name":"x_abinit_var_objbn", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : Number of atoms, OBJect B : Number of ", "atoms"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_objbrf", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : Repetition Factors, OBJect B : Repetition ", "Factors"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_objbro", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : ROtations, OBJect B : ", "ROtations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_objbtr", "meta_type":"type-value", "meta_description":[ "ABINIT variable OBJect A : TRanslations, OBJect B : ", "TRanslations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"bohr" },{ "meta_name":"x_abinit_var_occ", "meta_type":"type-value", "meta_description":"ABINIT variable OCCupation numbers", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"sum(x_abinit_var_nband)" }] },{ "meta_name":"x_abinit_var_occopt", "meta_type":"type-value", "meta_description":"ABINIT variable OCCupation OPTion", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_omegasimax", "meta_type":"type-value", "meta_description":[ "ABINIT variable OMEGA to evaluate Sigma along the Imaginary axis D: MAXimal ", "value"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_omegasrdmax", "meta_type":"type-value", "meta_description":[ "ABINIT variable OMEGA to evaluate the Sigma Real axis Derivative : MAXimal ", "value"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_optcell", "meta_type":"type-value", "meta_description":[ "ABINIT variable OPTimize the CELL shape and ", "dimensions"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_optdriver", "meta_type":"type-value", "meta_description":"ABINIT variable OPTions for the DRIVER", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_optforces", "meta_type":"type-value", "meta_description":[ "ABINIT variable OPTions for the calculation of ", "FORCES"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_optnlxccc", "meta_type":"type-value", "meta_description":[ "ABINIT variable OPTion for the calculation of Non-Linear eXchange-Correlation ", "Core Correction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_optstress", "meta_type":"type-value", "meta_description":[ "ABINIT variable OPTion for the computation of ", "STRess"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ortalg", "meta_type":"type-value", "meta_description":"ABINIT variable ORThogonalisation ALGorithm", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_papiopt", "meta_type":"type-value", "meta_description":"ABINIT variable PAPI OPTion", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_paral_atom", "meta_type":"type-value", "meta_description":[ "ABINIT variable activate PARALelization over (paw) ATOMic ", "sites"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_paral_kgb", "meta_type":"type-value", "meta_description":[ "ABINIT variable activate PARALelization over K-point, G-vectors and ", "Bands"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_paral_rf", "meta_type":"type-value", "meta_description":[ "ABINIT variable activate PARALlelization over Response Function ", "perturbations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawcpxocc", "meta_type":"type-value", "meta_description":"ABINIT variable PAW - use ComPleX rhoij OCCupancies", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawcross", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - add CROSS term in oscillator ", "strengths"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawecutdg", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - Energy CUToff for the Double ", "Grid"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_pawfatbnd", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW: print band structure in the FAT-BaND ", "representation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawlcutd", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - L angular momentum used to CUT the development in moments ", "of the Densitites"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawlmix", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - maximum L used in the spherical part ", "MIXing"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawmixdg", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - MIXing is done (or not) on the (fine) Double ", "Grid"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawnhatxc", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - Flag for exact computation of gradients of NHAT density ", "in eXchange-Correlation."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawnphi", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - Number of PHI angles used to discretize the sphere around ", "each atom."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawntheta", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - Number of THETA angles used to discretize the sphere ", "around each atom."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawnzlm", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - only compute Non-Zero LM-moments of the contributions to ", "the density from the spheres"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawoptmix", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - OPTion for the MIXing of the spherical ", "part"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawoptosc", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - OPTion for the computation of the OSCillator matrix ", "elements"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawovlp", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - spheres OVerLap allowed (in ", "percentage)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_pawprt_b", "meta_type":"type-value", "meta_description":"ABINIT variable PAW print band", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawprt_k", "meta_type":"type-value", "meta_description":"ABINIT variable PAW print k-point", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawprtden", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW: PRinT total physical electron ", "DENsity"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawprtdos", "meta_type":"type-value", "meta_description":"ABINIT variable PAW: PRinT partial DOS contributions", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawprtvol", "meta_type":"type-value", "meta_description":"ABINIT variable PAW: PRinT VOLume", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawprtwf", "meta_type":"type-value", "meta_description":"ABINIT variable PAW: PRinT WaveFunctions", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawspnorb", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - option for SPiN-ORBit ", "coupling"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawstgylm", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - option for the STorage of ", "G_l(r).YLM(r)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawsushat", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - SUSceptibility, inclusion of HAT (compensation charge) ", "contribution"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawujat", "meta_type":"type-value", "meta_description":"ABINIT variable PAW+macro_UJ, ATom number", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawujrad", "meta_type":"type-value", "meta_description":"ABINIT variable PAW+macro_UJ, sphere RADius", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_pawujv", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW+macro_UJ, potential shift ", "(V)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_pawusecp", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - option for the USE of CPrj in memory (cprj=WF projected ", "with NL projector)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pawxcdev", "meta_type":"type-value", "meta_description":[ "ABINIT variable PAW - choice for eXchange-Correlation DEVelopment (spherical ", "part)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ph_intmeth", "meta_type":"type-value", "meta_description":"ABINIT variable PHonon: INTegration METHod", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ph_ndivsm", "meta_type":"type-value", "meta_description":[ "ABINIT variable PHonon: number of divisions for sampling the smallest ", "segment"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ph_ngqpt", "meta_type":"type-value", "meta_description":[ "ABINIT variable PHonon: Number of Grid points for Q-PoinT ", "mesh."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_ph_nqpath", "meta_type":"type-value", "meta_description":[ "ABINIT variable PHonon: numer of Q-points defining the ", "PATH"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ph_nqshift", "meta_type":"type-value", "meta_description":"ABINIT variable PHonons: Number of q-SHIFTs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ph_qpath", "meta_type":"type-value", "meta_description":"ABINIT variable Phonon: Q-PATH", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ph_nqpath" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_ph_qshift", "meta_type":"type-value", "meta_description":"ABINIT variable PHONONS: Q-SHIFTs for mesh.", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ph_nqshift" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_ph_smear", "meta_type":"type-value", "meta_description":"ABINIT variable PHonon: SMEARing factor", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_ph_wstep", "meta_type":"type-value", "meta_description":"ABINIT variable PHonons: frequency STEP.", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_pimass", "meta_type":"type-value", "meta_description":[ "ABINIT variable Path Integral fictitious ", "MASSes"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }] },{ "meta_name":"x_abinit_var_pitransform", "meta_type":"type-value", "meta_description":[ "ABINIT variable Path Integral coordinate ", "TRANSFORMation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_plowan_bandf", "meta_type":"type-value", "meta_description":[ "ABINIT variable Projected Local Orbital WANnier functions Initial ", "BAND"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_plowan_bandi", "meta_type":"type-value", "meta_description":[ "ABINIT variable Projected Local Orbital WANnier functions Initial ", "BAND"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_plowan_compute", "meta_type":"type-value", "meta_description":[ "ABINIT variable Projected Local Orbital WANnier functions ", "COMPUTATION"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_plowan_iatom", "meta_type":"type-value", "meta_description":[ "ABINIT variable Projected Local Orbital WANnier functions, ATOM ", "Index"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_plowan_it", "meta_type":"type-value", "meta_description":[ "ABINIT variable Projected Local Orbital WANnier functions, Index of ", "Translation."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_plowan_nt" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_plowan_lcalc", "meta_type":"type-value", "meta_description":[ "ABINIT variable Projected Local Orbital WANnier functions, L values to use for ", "CALCulation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"sum(x_abinit_var_plowan_nbl)" }] },{ "meta_name":"x_abinit_var_plowan_natom", "meta_type":"type-value", "meta_description":[ "ABINIT variable Projected Local Orbital WANnier functions, Number of ", "ATOMs"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_plowan_nbl", "meta_type":"type-value", "meta_description":[ "ABINIT variable Projected Local Orbital WANnier functions, NumBer of L ", "values"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_plowan_natom" }] },{ "meta_name":"x_abinit_var_plowan_nt", "meta_type":"type-value", "meta_description":[ "ABINIT variable Projected Local Orbital WANnier functions, Number of ", "Translation on which the real space values ofenergy are ", "computed"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_plowan_projcalc", "meta_type":"type-value", "meta_description":[ "ABINIT variable Projected Local Orbital WANnier functions, PROJectors values ", "to use for CALCulation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"sum(x_abinit_var_plowan_nbl)" }] },{ "meta_name":"x_abinit_var_plowan_realspace", "meta_type":"type-value", "meta_description":[ "ABINIT variable Projected Local Orbital WANnier functions, activate REAL SPACE ", "calculation."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_polcen", "meta_type":"type-value", "meta_description":[ "ABINIT variable POLarization for Centrosymmetric ", "geometry"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_posdoppler", "meta_type":"type-value", "meta_description":[ "ABINIT variable POSitron computation of DOPPLER ", "broadening"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_positron", "meta_type":"type-value", "meta_description":"ABINIT variable POSITRON calculation", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_posnstep", "meta_type":"type-value", "meta_description":[ "ABINIT variable POSitron calculation: max. Number of STEPs for the ", "two-component DFT"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_posocc", "meta_type":"type-value", "meta_description":[ "ABINIT variable POSitron calculation: OCCupation number for the ", "positron"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_postoldfe", "meta_type":"type-value", "meta_description":[ "ABINIT variable POSITRON calculation: TOLerance on the DiFference of total ", "Energy"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_postoldff", "meta_type":"type-value", "meta_description":[ "ABINIT variable POSitron calculation: TOLerance on the DiFference of ", "Forces"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_ppmfrq", "meta_type":"type-value", "meta_description":"ABINIT variable Plasmon Pole Model FReQuency", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_ppmodel", "meta_type":"type-value", "meta_description":"ABINIT variable Plasmon Pole MODEL", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prepanl", "meta_type":"type-value", "meta_description":[ "ABINIT variable PREPAre Non-Linear response ", "calculation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prepgkk", "meta_type":"type-value", "meta_description":"ABINIT variable PREPAre GKK calculation", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prepscphon", "meta_type":"type-value", "meta_description":[ "ABINIT variable PREPare Self-Consistent PHONon ", "calculation"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prt1dm", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT 1-DiMensional potential and ", "density"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtatlist", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT by ATom LIST of ATom", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtbbb", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT Band-By-Band decomposition", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtbltztrp", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT output for BoLTZTRaP ", "code"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtcif", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT Crystallographic Information ", "File"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtden", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT the DENsity", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtdensph", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT integral of DENsity inside atomic ", "SPHeres"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtdipole", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT DIPOLE", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtdos", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT the Density Of States", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtdosm", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT the Density Of States with M ", "decomposition"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtefg", "meta_type":"type-value", "meta_description":"ABINIT variable PRint Electric Field Gradient", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prteig", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT EIGenenergies", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtelf", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT Electron Localization Function ", "(ELF)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtfc", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT Fermi Contact term", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtfsurf", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT Fermi SURFace file", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtgden", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT the Gradient of electron ", "DENsity"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtgeo", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT the GEOmetry analysis", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtgkk", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT the GKK matrix elements ", "file"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtgsr", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT the GSR file", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtkden", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT the Kinetic energy ", "DENsity"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtkpt", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT the K-PoinTs sets", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtlden", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT the Laplacian of electron ", "DENsity"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtnabla", "meta_type":"type-value", "meta_description":"ABINIT variable PRint NABLA", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtnest", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT NESTing function", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtposcar", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT POSCAR file", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtpot", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT V_XC", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtpsps", "meta_type":"type-value", "meta_description":"ABINIT variable PRint the PSPS file", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtspcur", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT the SPin CURrent density", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtstm", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT the STM density", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtsuscep", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT the SUSCEPtibility file (the irreducible ", "polarizability)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtvclmb", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT V CouLoMB", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtvdw", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT Van Der Waals file", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtvha", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT V_HArtree", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtvhxc", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT V_HXC", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtvol", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT VOLume", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtvolimg", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT VOLume for IMaGes", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtvpsp", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT V_PSeudoPotential", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtvxc", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT V_XC", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtwant", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT WANT file", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtwf", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT the WaveFunction", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtwf_full", "meta_type":"type-value", "meta_description":[ "ABINIT variable PRinT Wavefunction file on the FULL ", "mesh"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_prtxml", "meta_type":"type-value", "meta_description":"ABINIT variable PRinT an XML output", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ptcharge", "meta_type":"type-value", "meta_description":"ABINIT variable PoinT CHARGEs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }] },{ "meta_name":"x_abinit_var_ptgroupma", "meta_type":"type-value", "meta_description":[ "ABINIT variable PoinT GROUP number for the MAgnetic space ", "group"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_pvelmax", "meta_type":"type-value", "meta_description":"ABINIT variable Particle VELocity MAXimum", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_qmass", "meta_type":"type-value", "meta_description":"ABINIT variable Q thermostat mass", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nnos" }] },{ "meta_name":"x_abinit_var_qprtrb", "meta_type":"type-value", "meta_description":"ABINIT variable Q-wavevector of the PERTurbation", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_qpt", "meta_type":"type-value", "meta_description":"ABINIT variable Q PoinT", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_qptdm", "meta_type":"type-value", "meta_description":[ "ABINIT variable Q-PoinTs for the Dielectric ", "Matrix"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nqptdm" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_qptn", "meta_type":"type-value", "meta_description":"ABINIT variable Q-PoinT re-Normalized", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_qptnrm", "meta_type":"type-value", "meta_description":"ABINIT variable Q PoinTs NoRMalization", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_qptopt", "meta_type":"type-value", "meta_description":"ABINIT variable QPoinTs OPTion", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_qptrlatt", "meta_type":"type-value", "meta_description":[ "ABINIT variable Q - PoinTs grid : Real space ", "LATTice"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_quadmom", "meta_type":"type-value", "meta_description":"ABINIT variable QUADrupole MOMents", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }] },{ "meta_name":"x_abinit_var_random_atpos", "meta_type":"type-value", "meta_description":"ABINIT variable RANDOM ATomic POSitions", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ratsph", "meta_type":"type-value", "meta_description":"ABINIT variable Radii of the ATomic SPHere(s)", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }] },{ "meta_name":"x_abinit_var_ratsph_extra", "meta_type":"type-value", "meta_description":[ "ABINIT variable Radii of the ATomic SPHere(s) in the EXTRA ", "set"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"bohr" },{ "meta_name":"x_abinit_var_rcut", "meta_type":"type-value", "meta_description":[ "ABINIT variable Radius of the CUT-off for coulomb ", "interaction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_recefermi", "meta_type":"type-value", "meta_description":[ "ABINIT variable RECursion - initial guess of the FERMI ", "Energy"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_recgratio", "meta_type":"type-value", "meta_description":"ABINIT variable RECursion - Grid Ratio", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_recnpath", "meta_type":"type-value", "meta_description":[ "ABINIT variable RECursion - Number of point for PATH integral ", "calculations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_recnrec", "meta_type":"type-value", "meta_description":"ABINIT variable RECursion - Number of RECursions", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_recptrott", "meta_type":"type-value", "meta_description":"ABINIT variable RECursion - TROTTer P parameter", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_recrcut", "meta_type":"type-value", "meta_description":"ABINIT variable RECursion - CUTing Radius", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_rectesteg", "meta_type":"type-value", "meta_description":[ "ABINIT variable RECursion - TEST on Electron ", "Gas"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_rectolden", "meta_type":"type-value", "meta_description":[ "ABINIT variable RECursion - TOLerance on the difference of electronic ", "DENsity"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_red_dfield", "meta_type":"type-value", "meta_description":"ABINIT variable REDuced Displacement FIELD", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_red_efield", "meta_type":"type-value", "meta_description":"ABINIT variable REDuced Electric FIELD", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_red_efieldbar", "meta_type":"type-value", "meta_description":"ABINIT variable REDuced Electric FIELD BAR", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_restartxf", "meta_type":"type-value", "meta_description":"ABINIT variable RESTART from (X,F) history", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_rf2_dkdk", "meta_type":"type-value", "meta_description":[ "ABINIT variable Response Function : 2nd Derivative of wavefunctions with ", "respect to K"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_rfasr", "meta_type":"type-value", "meta_description":[ "ABINIT variable Response Function : Acoustic Sum ", "Rule"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_rfatpol", "meta_type":"type-value", "meta_description":[ "ABINIT variable Response Function : Acoustic Sum ", "Rule"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_rfddk", "meta_type":"type-value", "meta_description":[ "ABINIT variable Response Function with respect to Derivative with respect to ", "K"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_rfdir", "meta_type":"type-value", "meta_description":"ABINIT variable Response Function : DIRections", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_rfelfd", "meta_type":"type-value", "meta_description":[ "ABINIT variable Response Function with respect to the ELectric ", "FielD"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_rfmeth", "meta_type":"type-value", "meta_description":"ABINIT variable Response Function METHod", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_rfphon", "meta_type":"type-value", "meta_description":[ "ABINIT variable Response Function with respect to ", "PHONons"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_rfstrs", "meta_type":"type-value", "meta_description":[ "ABINIT variable Response Function with respect to ", "STRainS"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_rfuser", "meta_type":"type-value", "meta_description":"ABINIT variable Response Function, USER-defined", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_rhoqpmix", "meta_type":"type-value", "meta_description":"ABINIT variable RHO QuasiParticle MIXing", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_rprim", "meta_type":"type-value", "meta_description":"ABINIT variable Real space PRIMitive translations", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_rprimd", "meta_type":"type-value", "meta_description":[ "ABINIT variable Real space PRIMitive translations, ", "Dimensional"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_scalecart", "meta_type":"type-value", "meta_description":"ABINIT variable SCALE CARTesian coordinates", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_scphon_supercell", "meta_type":"type-value", "meta_description":"ABINIT variable Self Consistent PHONon SUPERCELL", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_scphon_temp", "meta_type":"type-value", "meta_description":"ABINIT variable Self Consistent PHONon TEMPerature", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_shiftk", "meta_type":"type-value", "meta_description":"ABINIT variable SHIFT for K points", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nshiftk" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_shiftq", "meta_type":"type-value", "meta_description":"ABINIT variable SHIFT for Q points", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nshiftq" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_signperm", "meta_type":"type-value", "meta_description":"ABINIT variable SIGN of PERMutation potential", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_slabwsrad", "meta_type":"type-value", "meta_description":[ "ABINIT variable jellium SLAB Wigner-Seitz ", "RADius"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"bohr" },{ "meta_name":"x_abinit_var_slabzbeg", "meta_type":"type-value", "meta_description":[ "ABINIT variable jellium SLAB BEGinning edge along the Z ", "direction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_slabzend", "meta_type":"type-value", "meta_description":[ "ABINIT variable jellium SLAB ENDing edge along the Z ", "direction"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_smdelta", "meta_type":"type-value", "meta_description":"ABINIT variable SMeared DELTA function", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_so_psp", "meta_type":"type-value", "meta_description":[ "ABINIT variable Spin-Orbit treatment for each ", "PSeudoPotential"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_npsp" }] },{ "meta_name":"x_abinit_var_spbroad", "meta_type":"type-value", "meta_description":"ABINIT variable SPectral BROADening", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_spgaxor", "meta_type":"type-value", "meta_description":"ABINIT variable SPace Group : AXes ORientation", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_spgorig", "meta_type":"type-value", "meta_description":"ABINIT variable SPace Group : ORIGin", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_spgroup", "meta_type":"type-value", "meta_description":"ABINIT variable SPace GROUP number", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_spgroupma", "meta_type":"type-value", "meta_description":[ "ABINIT variable SPace GROUP number defining a MAgnetic space ", "group"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_spinat", "meta_type":"type-value", "meta_description":"ABINIT variable SPIN for AToms", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"min(x_abinit_var_natom,x_abinit_var_natrd)" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_spinmagntarget", "meta_type":"type-value", "meta_description":"ABINIT variable SPIN-MAGNetization TARGET", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_spmeth", "meta_type":"type-value", "meta_description":"ABINIT variable SPectral METHod", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_spnorbscl", "meta_type":"type-value", "meta_description":"ABINIT variable SPin-ORBit SCaLing", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_stmbias", "meta_type":"type-value", "meta_description":[ "ABINIT variable Scanning Tunneling Microscopy BIAS ", "voltage"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_strfact", "meta_type":"type-value", "meta_description":"ABINIT variable STRess FACTor", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_string_algo", "meta_type":"type-value", "meta_description":"ABINIT variable STRING method ALGOrithm", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_strprecon", "meta_type":"type-value", "meta_description":"ABINIT variable STRess PRECONditioner", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_strtarget", "meta_type":"type-value", "meta_description":"ABINIT variable STRess TARGET", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":6 }] },{ "meta_name":"x_abinit_var_symafm", "meta_type":"type-value", "meta_description":[ "ABINIT variable SYMmetries, Anti-FerroMagnetic ", "characteristics"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nsym" }] },{ "meta_name":"x_abinit_var_symchi", "meta_type":"type-value", "meta_description":"ABINIT variable SYMmetryze \\chi_o", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_symdynmat", "meta_type":"type-value", "meta_description":[ "ABINIT variable SYMmetrize the DYNamical ", "MATrix"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_symmorphi", "meta_type":"type-value", "meta_description":"ABINIT variable SYMMORPHIc symmetry operations", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_symrel", "meta_type":"type-value", "meta_description":"ABINIT variable SYMmetry in REaL space", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nsym" },{ "meta_dimension_fixed":3 },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_symsigma", "meta_type":"type-value", "meta_description":[ "ABINIT variable SYMmetrization of SIGMA matrix ", "elements"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_td_maxene", "meta_type":"type-value", "meta_description":[ "ABINIT variable Time-Dependent dft : MAXimal kohn-sham ENErgy ", "difference"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_td_mexcit", "meta_type":"type-value", "meta_description":[ "ABINIT variable Time-Dependent dft : Maximal number of ", "EXCITations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_tfkinfunc", "meta_type":"type-value", "meta_description":[ "ABINIT variable Thomas-Fermi KINetic energy ", "FUNCtional"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_tfw_toldfe", "meta_type":"type-value", "meta_description":[ "ABINIT variable Thomas-Fermi-Weizsacker: TOLerance on the DiFference of total ", "Energy, for initialization steps"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_timopt", "meta_type":"type-value", "meta_description":"ABINIT variable TIMing OPTion", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_tl_nprccg", "meta_type":"type-value", "meta_description":[ "ABINIT variable TaiL maximum Number of PReConditionner Conjugate Gradient ", "iterations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_tl_radius", "meta_type":"type-value", "meta_description":"ABINIT variable TaiL expansion RADIUS", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"bohr" },{ "meta_name":"x_abinit_var_tnons", "meta_type":"type-value", "meta_description":[ "ABINIT variable Translation NON-Symmorphic ", "vectors"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nsym" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_toldfe", "meta_type":"type-value", "meta_description":[ "ABINIT variable TOLerance on the DiFference of total ", "Energy"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_toldff", "meta_type":"type-value", "meta_description":[ "ABINIT variable TOLerance on the DiFference of ", "Forces"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_tolimg", "meta_type":"type-value", "meta_description":[ "ABINIT variable TOLerance on the mean total energy for ", "IMaGes"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_tolmxde", "meta_type":"type-value", "meta_description":[ "ABINIT variable TOLerance on the MaXimal Difference in ", "Energy"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_tolmxf", "meta_type":"type-value", "meta_description":[ "ABINIT variable TOLerance on the MaXimal ", "Force"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_tolrde", "meta_type":"type-value", "meta_description":[ "ABINIT variable TOLerance on the Relative Difference of ", "Eigenenergies"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_tolrff", "meta_type":"type-value", "meta_description":[ "ABINIT variable TOLerance on the Relative diFference of ", "Forces"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_tolsym", "meta_type":"type-value", "meta_description":"ABINIT variable TOLERANCE for SYMmetries", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_tolvrs", "meta_type":"type-value", "meta_description":[ "ABINIT variable TOLerance on the potential V(r) ", "ReSidual"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_tolwfr", "meta_type":"type-value", "meta_description":[ "ABINIT variable TOLerance on WaveFunction squared ", "Residual"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_tphysel", "meta_type":"type-value", "meta_description":[ "ABINIT variable Temperature (PHYSical) of the ", "ELectrons"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_tsmear", "meta_type":"type-value", "meta_description":"ABINIT variable Temperature of SMEARing", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_typat", "meta_type":"type-value", "meta_description":"ABINIT variable TYPE of atoms", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"min(x_abinit_var_natom,x_abinit_var_natrd)" }] },{ "meta_name":"x_abinit_var_ucrpa", "meta_type":"type-value", "meta_description":[ "ABINIT variable calculation of the screened interaction U with the Constrained ", "RPA method"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_ucrpa_bands", "meta_type":"type-value", "meta_description":[ "ABINIT variable For the calculation of U with the Constrained RPA method, gives ", "correlated BANDS"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_ucrpa_window", "meta_type":"type-value", "meta_description":[ "ABINIT variable For the calculation of U with the Constrained RPA method, gives ", "energy WINDOW"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_udtset", "meta_type":"type-value", "meta_description":"ABINIT variable Upper limit on DaTa SETs", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_upawu", "meta_type":"type-value", "meta_description":"ABINIT variable value of U for PAW+U", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }], "meta_units":"hartree" },{ "meta_name":"x_abinit_var_use_gemm_nonlop", "meta_type":"type-value", "meta_description":[ "ABINIT variable USE the GEMM routine for the application of the NON-Local ", "OPerator"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_use_gpu_cuda", "meta_type":"type-value", "meta_description":[ "ABINIT variable activate USE of GPU accelerators with CUDA ", "(nvidia)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_use_nonscf_gkk", "meta_type":"type-value", "meta_description":[ "ABINIT variable USE NON-SCF calculation of GKK matrix elements (electron ", "phonon)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_use_slk", "meta_type":"type-value", "meta_description":"ABINIT variable USE ScaLapacK", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_usedmatpu", "meta_type":"type-value", "meta_description":[ "ABINIT variable USE of an initial Density MATrix in ", "Paw+U"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_usedmft", "meta_type":"type-value", "meta_description":[ "ABINIT variable USE Dynamical Mean Field ", "Theory"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_useexexch", "meta_type":"type-value", "meta_description":"ABINIT variable USE of EXact EXCHange", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_usefock", "meta_type":"type-value", "meta_description":"ABINIT variable USE FOCK exact exchange", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_usekden", "meta_type":"type-value", "meta_description":"ABINIT variable USE Kinetic energy DENsity", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_usepaw", "meta_type":"type-value", "meta_description":[ "ABINIT variable USE Projector Augmented Waves ", "method"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_usepawu", "meta_type":"type-value", "meta_description":"ABINIT variable USE PAW+U (spherical part)", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_usepotzero", "meta_type":"type-value", "meta_description":"ABINIT variable USE POTential ZERO", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_userec", "meta_type":"type-value", "meta_description":"ABINIT variable USE RECursion", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_useria", "meta_type":"type-value", "meta_description":"ABINIT variable USER Integer variable A", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_userib", "meta_type":"type-value", "meta_description":"ABINIT variable USER Integer variable B", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_useric", "meta_type":"type-value", "meta_description":"ABINIT variable USER Integer variable C", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_userid", "meta_type":"type-value", "meta_description":"ABINIT variable USER Integer variable D", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_userie", "meta_type":"type-value", "meta_description":"ABINIT variable USER Integer variable E", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_userra", "meta_type":"type-value", "meta_description":"ABINIT variable USER Real variable A", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_userrb", "meta_type":"type-value", "meta_description":"ABINIT variable USER Real variable B", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_userrc", "meta_type":"type-value", "meta_description":"ABINIT variable USER Real variable C", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_userrd", "meta_type":"type-value", "meta_description":"ABINIT variable USER Real variable D", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_userre", "meta_type":"type-value", "meta_description":"ABINIT variable USER Real variable E", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_usewvl", "meta_type":"type-value", "meta_description":"ABINIT variable Use WaVeLet basis set", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_usexcnhat", "meta_type":"type-value", "meta_description":[ "ABINIT variable USE eXchange-Correlation with NHAT (compensation charge ", "density)"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_useylm", "meta_type":"type-value", "meta_description":"ABINIT variable USE YLM (the spherical harmonics)", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_vaclst", "meta_type":"type-value", "meta_description":"ABINIT variable VACancies LiST", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_vacnum" }] },{ "meta_name":"x_abinit_var_vacnum", "meta_type":"type-value", "meta_description":"ABINIT variable VACancies NUMber", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_vacuum", "meta_type":"type-value", "meta_description":"ABINIT variable VACUUM identification", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_vacwidth", "meta_type":"type-value", "meta_description":"ABINIT variable VACuum WIDTH", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"bohr" },{ "meta_name":"x_abinit_var_vcutgeo", "meta_type":"type-value", "meta_description":"ABINIT variable V (potential) CUT-off GEOmetry", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_vdw_df_acutmin", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF MINimum Angular CUT-off", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_aratio", "meta_type":"type-value", "meta_description":[ "ABINIT variable vdW-DF RATIO between the highest andlowest ", "Angle."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_damax", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF MAXimum Angular Delta", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_damin", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF MINimum Angular Delta", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_dcut", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF D-mesh CUT-off", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_dratio", "meta_type":"type-value", "meta_description":[ "ABINIT variable vdW-DF RATIO between the highest andlowest ", "D."], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_dsoft", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF SOFTening distance.", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_gcut", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF K-space CUT-off", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_ndpts", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF Number of D-mesh PoinTS", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_vdw_df_ngpts", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF Number of G-mesh PoinTS", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_vdw_df_nqpts", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF Number of Q-mesh PoinTS", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_vdw_df_nrpts", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF Number of R-PoinTS", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_vdw_df_nsmooth", "meta_type":"type-value", "meta_description":[ "ABINIT variable vdW-DF Number of SMOOTHening ", "iterations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_vdw_df_phisoft", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF SOFTening PHI value.", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_qcut", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF Q-mesh CUT-off", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_qratio", "meta_type":"type-value", "meta_description":[ "ABINIT variable vdW-DF RATIO between highest andlowest ", "Q"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_rcut", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF Real-space CUT-off", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_rsoft", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF SOFTening radius.", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_threshold", "meta_type":"type-value", "meta_description":[ "ABINIT variable vdW-DF energy calculation ", "threshold"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_tolerance", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF global TOLERANCE.", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_df_tweaks", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF tweaks.", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_vdw_df_zab", "meta_type":"type-value", "meta_description":"ABINIT variable vdW-DF Zab parameter", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_nfrag", "meta_type":"type-value", "meta_description":[ "ABINIT variable van der Waals Number of interacting ", "FRAGments"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_vdw_supercell", "meta_type":"type-value", "meta_description":[ "ABINIT variable Van Der Waals correction from Wannier functions in ", "SUPERCELL"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_vdw_tol", "meta_type":"type-value", "meta_description":"ABINIT variable van der Waals TOLerance", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_tol_3bt", "meta_type":"type-value", "meta_description":[ "ABINIT variable van der Waals TOLerance for 3-Body ", "Term"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vdw_typfrag", "meta_type":"type-value", "meta_description":"ABINIT variable van der Waals TYPe of FRAGment", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_natom" }] },{ "meta_name":"x_abinit_var_vdw_xc", "meta_type":"type-value", "meta_description":[ "ABINIT variable van der Waals eXchange-Correlation ", "functional"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_vel", "meta_type":"type-value", "meta_description":"ABINIT variable VELocity", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_natom" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_vel_cell", "meta_type":"type-value", "meta_description":"ABINIT variable VELocity of the CELL parameters", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_vis", "meta_type":"type-value", "meta_description":"ABINIT variable VIScosity", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_vprtrb", "meta_type":"type-value", "meta_description":"ABINIT variable potential -V- for the PeRTuRBation", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":2 }], "meta_units":"hartree" },{ "meta_name":"x_abinit_var_w90iniprj", "meta_type":"type-value", "meta_description":"ABINIT variable Wannier90- INItial PROJections", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_w90prtunk", "meta_type":"type-value", "meta_description":"ABINIT variable Wannier90- PRINT UNKp.s file", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_wfoptalg", "meta_type":"type-value", "meta_description":[ "ABINIT variable WaveFunction OPTimisation ", "ALGorithm"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_wtatcon", "meta_type":"type-value", "meta_description":[ "ABINIT variable WeighTs for AToms in CONstraint ", "equations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nconeq" },{ "meta_dimension_symbolic":"x_abinit_var_natcon" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_wtk", "meta_type":"type-value", "meta_description":"ABINIT variable WeighTs for K points", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_nkpt" }] },{ "meta_name":"x_abinit_var_wtq", "meta_type":"type-value", "meta_description":"ABINIT variable WeighTs for the current Q-points", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_wvl_bigdft_comp", "meta_type":"type-value", "meta_description":"ABINIT variable WaVeLet BigDFT Comparison", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_wvl_crmult", "meta_type":"type-value", "meta_description":[ "ABINIT variable WaVeLet Coarse grid Radius ", "MULTiplier"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_wvl_frmult", "meta_type":"type-value", "meta_description":[ "ABINIT variable WaVeLet Fine grid Radius ", "MULTiplier"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_wvl_hgrid", "meta_type":"type-value", "meta_description":"ABINIT variable WaVeLet H step GRID", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"bohr" },{ "meta_name":"x_abinit_var_wvl_ngauss", "meta_type":"type-value", "meta_description":"ABINIT variable WaVeLet Number of GAUSSians", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int", "meta_dimension":[{ "meta_dimension_fixed":2 }] },{ "meta_name":"x_abinit_var_wvl_nprccg", "meta_type":"type-value", "meta_description":[ "ABINIT variable WaVeLet maximum Number of PReConditionner Conjugate Gradient ", "iterations"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_xangst", "meta_type":"type-value", "meta_description":[ "ABINIT variable vectors (X) of atom positions in cartesian coordinates -length ", "in ANGSTrom-"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"min(x_abinit_var_natom,x_abinit_var_natrd)" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_xc_denpos", "meta_type":"type-value", "meta_description":[ "ABINIT variable eXchange-Correlation - DENsity POSitivity ", "value"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_xc_tb09_c", "meta_type":"type-value", "meta_description":[ "ABINIT variable Value of the c parameter in the eXchange-Correlation TB09 ", "functional"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float" },{ "meta_name":"x_abinit_var_xcart", "meta_type":"type-value", "meta_description":[ "ABINIT variable vectors (X) of atom positions in CARTesian ", "coordinates"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"min(x_abinit_var_natom,x_abinit_var_natrd)" },{ "meta_dimension_fixed":3 }], "meta_units":"bohr" },{ "meta_name":"x_abinit_var_xclevel", "meta_type":"type-value", "meta_description":[ "ABINIT variable eXchange Correlation functional ", "level"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"int" },{ "meta_name":"x_abinit_var_xred", "meta_type":"type-value", "meta_description":[ "ABINIT variable vectors (X) of atom positions in REDuced ", "coordinates"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"min(x_abinit_var_natom,x_abinit_var_natrd)" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_xredsph_extra", "meta_type":"type-value", "meta_description":[ "ABINIT variable X(position) in REDuced coordinates of the SPHeres for dos ", "projection in the EXTRA set"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_natsph_extra" },{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_xyzfile", "meta_type":"type-value", "meta_description":"ABINIT variable XYZ FILE input for geometry", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"string" },{ "meta_name":"x_abinit_var_zcut", "meta_type":"type-value", "meta_description":"ABINIT variable Z-CUT", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_units":"hartree" },{ "meta_name":"x_abinit_var_zeemanfield", "meta_type":"type-value", "meta_description":"ABINIT variable ZEEMAN FIELD", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_fixed":3 }] },{ "meta_name":"x_abinit_var_ziontypat", "meta_type":"type-value", "meta_description":[ "ABINIT variable Z (charge) of the IONs for the different TYPes of ", "AToms"], "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_ntypat" }] },{ "meta_name":"x_abinit_var_znucl", "meta_type":"type-value", "meta_description":"ABINIT variable charge -Z- of the NUCLeus", "meta_parent_section":"x_abinit_section_input", "meta_abstract_types":[ "x_abinit_var"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_abinit_var_npsp" }] }] }