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FIXed ", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_natfix"] },{ "name":"x_abinit_var_iatfixx", "description":"ABINIT variable Indices of AToms that are FIXed along the X direction", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_natfixx"] },{ "name":"x_abinit_var_iatfixy", "description":"ABINIT variable Indices of AToms that are FIXed along the Y direction", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_natfixy"] },{ "name":"x_abinit_var_iatfixz", "description":"ABINIT variable Indices of AToms that are FIXed along the Z direction", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_natfixz"] },{ "name":"x_abinit_var_iatsph", "description":"ABINIT variable Index for the ATomic SPHeres of the atom-projected density-of-states", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_natsph"] },{ "name":"x_abinit_var_iboxcut", "description":"ABINIT variable Integer governing the internal use of BOXCUT - not a very good choice of variable name", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_icoulomb", "description":"ABINIT variable Coulomb TReaTMenT", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_icutcoul", "description":"ABINIT variable Integer that governs the CUT-off for COULomb interaction", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ieig2rf", "description":"ABINIT variable Integer for second-order EIGenvalues from Response-Function", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_imgmov", "description":"ABINIT variable IMaGe MOVEs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_inclvkb", "description":"ABINIT variable INCLude VKB", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_intxc", "description":"ABINIT variable INTerpolation for eXchange-Correlation", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_iomode", "description":"ABINIT variable IO MODE", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ionmov", "description":"ABINIT variable IONic MOVEs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_iprcel", "description":"ABINIT variable Integer for PReConditioning of ELectron response", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_iprcfc", "description":"ABINIT variable Integer for PReConditioner of Force Constants", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_iqpt", "description":"ABINIT variable Index for QPoinT generation", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irandom", "description":"ABINIT variable Integer for the choice of the RANDOM number generator", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ird1den", "description":"ABINIT variable Integer that governs the ReaDing of 1st-order DEN file", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ird1wf", "description":"ABINIT variable Integer that governs the ReaDing of _1WF files ", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdbscoup", "description":"ABINIT variable Integer that governs the ReaDing of COUPling block", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdbseig", "description":"ABINIT variable Integer that governs the ReaDing of BS_EIG file", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdbsreso", "description":"ABINIT variable Integer that governs the ReaDing of RESOnant block", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdddb", "description":"ABINIT variable Integer that governs the ReaDing of DDB file", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdddk", "description":"ABINIT variable Integer that governs the ReaDing of DDK wavefunctions, in _1WF files", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdden", "description":"ABINIT variable Integer that governs the ReaDing of DEN file", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdhaydock", "description":"ABINIT variable Integer that governs the ReaDing of the HAYDOCK restart file", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdqps", "description":"ABINIT variable Integer that governs the ReaDing of QuasiParticle Structure", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdscr", "description":"ABINIT variable Integer that governs the ReaDing of the SCReening", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdsuscep", "description":"ABINIT variable Integer that governs the ReaDing of the SUSCEPtibility", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdvdw", "description":"ABINIT variable Integer that governs the ReaDing of _VDW files", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdwfk", "description":"ABINIT variable Integer that governs the ReaDing of _WFK files", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdwfkfine", "description":"ABINIT variable Integer that governs the ReaDing of the fine grid _WFK files", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_irdwfq", "description":"ABINIT variable Integer that governs the ReaDing of _WFQ files", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_iscf", "description":"ABINIT variable Integer for Self-Consistent-Field cycles", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_isecur", "description":"ABINIT variable Integer for level of SECURity choice", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_istatimg", "description":"ABINIT variable Integer governing the computation of STATic IMaGes", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_istatr", "description":"ABINIT variable Integer for STATus file SHiFT", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_istatshft", "description":"ABINIT variable Integer for STATus file SHiFT", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_istwfk", "description":"ABINIT variable Integer for choice of STorage of WaveFunction at each k point", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_nkpt"] },{ "name":"x_abinit_var_ixc", "description":"ABINIT variable Integer for eXchange-Correlation choice", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ixcpositron", "description":"ABINIT variable Integer for the eXchange-Correlation applied to the electron-POSITRON interaction", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_jdtset", "description":"ABINIT variable index -J- for DaTaSETs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_ndtset"] },{ "name":"x_abinit_var_jellslab", "description":"ABINIT variable include a JELLium SLAB in the cell", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_jfielddir", "description":"ABINIT variable electric/displacement FIELD DIRection", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":[3] },{ "name":"x_abinit_var_jpawu", "description":"ABINIT variable value of J for PAW+U", "superNames":["x_abinit_section_input","x_abinit_var"], "units":"hartree", "dtypeStr":"f", "shape":["x_abinit_var_ntypat"] },{ "name":"x_abinit_var_kberry", "description":"ABINIT variable K wavevectors for BERRY phase computation", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_nberry",3] },{ "name":"x_abinit_var_kpt", "description":"ABINIT variable K - PoinTs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f", "shape":["x_abinit_var_nkpt",3] },{ "name":"x_abinit_var_kptbounds", "description":"ABINIT variable K PoinTs BOUNDarieS", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f", "shape":["abs(x_abinit_var_kptopt)+1)",3] },{ "name":"x_abinit_var_kptgw", "description":"ABINIT variable K-PoinTs for GW calculations", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f", "shape":["x_abinit_var_nkptgw",3] },{ "name":"x_abinit_var_kptnrm", "description":"ABINIT variable K - PoinTs NoRMalization", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f" },{ "name":"x_abinit_var_kptns", "description":"ABINIT variable K-PoinTs re-Normalized and Shifted", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f", "shape":["x_abinit_var_nkpt",3] },{ "name":"x_abinit_var_kptopt", "description":"ABINIT variable KPoinTs OPTion", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_kptrlatt", "description":"ABINIT variable K - PoinTs grid : Real space LATTice", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":[3,3] },{ "name":"x_abinit_var_kptrlen", "description":"ABINIT variable K - PoinTs grid : Real space LENgth", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f" },{ "name":"x_abinit_var_kssform", "description":"ABINIT variable Kohn Sham Structure file FORMat", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_lexexch", "description":"ABINIT variable value of angular momentum L for EXact EXCHange", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_ntypat"] },{ "name":"x_abinit_var_localrdwf", "description":"ABINIT variable LOCAL ReaD WaveFunctions", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_lotf_classic", "description":"ABINIT variable LOTF classic model for Glue model", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_lotf_nitex", "description":"ABINIT variable LOTF number of iterations", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_lotf_nneigx", "description":"ABINIT variable LOTF max number of neighbours", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_lotf_version", "description":"ABINIT variable LOTF version of MD algorithm", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_lpawu", "description":"ABINIT variable value of angular momentum L for PAW+U", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_ntypat"] },{ "name":"x_abinit_var_macro_uj", "description":"ABINIT variable Macro variable that activates the determination of the U and J parameter (for the PAW+U calculations)", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_magcon_lambda", "description":"ABINIT variable MAGnetization CONstraint LAMBDA parameter", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f" },{ "name":"x_abinit_var_magconon", "description":"ABINIT variable turn MAGnetization CONstraint ON", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_max_ncpus", "description":"ABINIT variable MAXimum Number of CPUS", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_maxestep", "description":"ABINIT variable MAXimum Electric field STEP", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f" },{ "name":"x_abinit_var_maxnsym", "description":"ABINIT variable MAXimum Number of SYMetries", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_mband", "description":"ABINIT variable Maximum number of BANDs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_mbpt_sciss", "description":"ABINIT variable Many Body Perturbation Theory SCISSor operator", "superNames":["x_abinit_section_input","x_abinit_var"], "units":"hartree", "dtypeStr":"f" },{ "name":"x_abinit_var_mdf_epsinf", "description":"ABINIT variable Model dielectric function, epsilon infinity", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f" },{ "name":"x_abinit_var_mdtemp", "description":"ABINIT variable Molecular Dynamics Temperatures", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f", "shape":[2] },{ "name":"x_abinit_var_mdwall", "description":"ABINIT variable Molecular Dynamics WALL location", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f" },{ "name":"x_abinit_var_mem_test", "description":"ABINIT variable MEMory TEST", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_mep_mxstep", "description":"ABINIT variable Minimal Energy Path search: MaXimum allowed STEP size", "superNames":["x_abinit_section_input","x_abinit_var"], "units":"bohr", "dtypeStr":"f" },{ "name":"x_abinit_var_mep_solver", "description":"ABINIT variable Minimal Energy Path ordinary differential equation SOLVER", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_mgfft", "description":"ABINIT variable Maximum of nGFFT", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_mgfftdg", "description":"ABINIT variable Maximum of nGFFT for the Double Grid", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_mixalch", "description":"ABINIT variable MIXing coefficients for ALCHemical potentials", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f", "shape":["x_abinit_var_ntypalch","x_abinit_var_npspalch"] },{ "name":"x_abinit_var_mpw", "description":"ABINIT variable Maximum number of Plane Waves", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_mqgrid", "description":"ABINIT variable Maximum number of Q-space GRID points for pseudopotentials", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_mqgriddg", "description":"ABINIT variable Maximum number of Q-wavevectors for the 1-dimensional GRID for the Double Grid in PAW", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_natcon", "description":"ABINIT variable Number of AToms in CONstraint equations", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_nconeq"] },{ "name":"x_abinit_var_natfix", "description":"ABINIT variable Number of Atoms that are FIXed", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_natfixx", "description":"ABINIT variable Number of Atoms that are FIXed along the X direction", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_natfixy", "description":"ABINIT variable Number of Atoms that are FIXed along the Y direction", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_natfixz", "description":"ABINIT variable Number of Atoms that are FIXed along the Z direction", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_natom", "description":"ABINIT variable Number of ATOMs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_natpawu", "description":"ABINIT variable Number of AToms on which PAW+U is applied", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_natrd", "description":"ABINIT variable Number of AToms ReaD", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_natsph", "description":"ABINIT variable Number of ATomic SPHeres for the atom-projected density-of-states", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_natsph_extra", "description":"ABINIT variable Number of ATomic SPHeres for the l-projected density-of-states in EXTRA set", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_natvshift", "description":"ABINIT variable Number of ATomic potential (V) energy SHIFTs (per atom)", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nband", "description":"ABINIT variable Number of BANDs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_nkpt","x_abinit_var_nsppol"] },{ "name":"x_abinit_var_nbandhf", "description":"ABINIT variable Number of BANDs for Fock exact exchange", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nbandkss", "description":"ABINIT variable Number of BANDs in the KSS file", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nbdblock", "description":"ABINIT variable Number of BanDs in a BLOCK", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nbdbuf", "description":"ABINIT variable Number of BanDs for the BUFfer", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nberry", "description":"ABINIT variable Number of BERRY phase computations", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nc_xccc_gspace", "description":"ABINIT variable Norm-Conserving, use XC Core-Correction in G-space", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nconeq", "description":"ABINIT variable Number of CONstraint EQuations", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nctime", "description":"ABINIT variable NetCdf TIME between output of molecular dynamics informations", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ndivk", "description":"ABINIT variable Number of DIVisions of K lines", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["abs(x_abinit_var_kptopt)"] },{ "name":"x_abinit_var_ndivsm", "description":"ABINIT variable Number of DIVisions for the SMallest segment", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ndtset", "description":"ABINIT variable Number of DaTaSETs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ndynimage", "description":"ABINIT variable Number of DYNamical IMAGEs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_neb_algo", "description":"ABINIT variable Nudged Elastic Band ALGOrithm", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_neb_spring", "description":"ABINIT variable Nudged Elastic Band: SPRING constant", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f", "shape":[2] },{ "name":"x_abinit_var_nelect", "description":"ABINIT variable Number of ELECTrons", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f" },{ "name":"x_abinit_var_nfft", "description":"ABINIT variable Number of FFT points", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nfftdg", "description":"ABINIT variable Number of FFT points for the Double Grid", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nfreqim", "description":"ABINIT variable Number of FREQuencies along the IMaginary axis", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nfreqmidm", "description":"ABINIT variable Nth FREQuencey Moment of the Imaginary part of the Dielectric Matrix", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nfreqre", "description":"ABINIT variable Number of FREQuencies along the REal axis", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nfreqsp", "description":"ABINIT variable Number of FREQuencies for the SPectral function", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ngfft", "description":"ABINIT variable Number of Grid points for Fast Fourier Transform", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":[3] },{ "name":"x_abinit_var_ngfftdg", "description":"ABINIT variable Number of Grid points for Fast Fourier Transform : Double Grid", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":[3] },{ "name":"x_abinit_var_ngkpt", "description":"ABINIT variable Number of Grid points for K PoinTs generation", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":[3] },{ "name":"x_abinit_var_ngqpt", "description":"ABINIT variable Number of Grid pointsfor Q PoinTs generation", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":[3] },{ "name":"x_abinit_var_nimage", "description":"ABINIT variable Number of IMAGEs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nkpt", "description":"ABINIT variable Number of K - Points", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nkptgw", "description":"ABINIT variable Number of K-PoinTs for GW corrections", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nkpthf", "description":"ABINIT variable Number of K - Points for Fock exact exchange", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nline", "description":"ABINIT variable Number of LINE minimisations", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nloc_alg", "description":"ABINIT variable Non LOCal ALGorithm", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nloc_mem", "description":"ABINIT variable Non LOCal MEMOry", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nnos", "description":"ABINIT variable Number of nose masses", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nnsclo", "description":"ABINIT variable Number of Non-Self Consistent LOops", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nnsclohf", "description":"ABINIT variable Number of Non-Self Consistent LOops for Fock exact exchange", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nobj", "description":"ABINIT variable Number of OBJects", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nomegasf", "description":"ABINIT variable Number of OMEGA to evaluate the Spectral Function", "superNames":["x_abinit_section_input","x_abinit_var"], "units":"hartree", "dtypeStr":"i" },{ "name":"x_abinit_var_nomegasi", "description":"ABINIT variable Number of OMEGA(S) along the Imaginary axis", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nomegasrd", "description":"ABINIT variable Number of OMEGA to evaluate the Sigma Real axis Derivative", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_normpawu", "description":"ABINIT variable NORMalize atomic PAW+U projector", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_ntypat"] },{ "name":"x_abinit_var_noseinert", "description":"ABINIT variable NOSE thermostat INERTia factor", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f" },{ "name":"x_abinit_var_np_slk", "description":"ABINIT variable Number of mpi Processors used for ScaLapacK calls", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npband", "description":"ABINIT variable Number of Processors at the BAND level", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npfft", "description":"ABINIT variable Number of Processors at the FFT level", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nphf", "description":"ABINIT variable Number of Processors for Fock exact exchange", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npimage", "description":"ABINIT variable Number of Processors at the IMAGE level", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npkpt", "description":"ABINIT variable Number of Processors at the K-Point Level", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nppert", "description":"ABINIT variable Number of Processors at the PERTurbation level", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npsp", "description":"ABINIT variable Number of PSeudoPotentials", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npspalch", "description":"ABINIT variable Number of PSeudoPotentials that are \"ALCHemical\"", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npspinor", "description":"ABINIT variable Number of Processors at the SPINOR level", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npulayit", "description":"ABINIT variable Number of PULAY ITerations for SC mixing", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npvel", "description":"ABINIT variable Number of Particle VELocities", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npweps", "description":"ABINIT variable Number of PlaneWaves for EPSilon (the dielectric matrix)", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npwkss", "description":"ABINIT variable Number of PlaneWaves in the KSS file", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npwsigx", "description":"ABINIT variable Number of PlaneWaves for SIGma eXchange", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_npwwfn", "description":"ABINIT variable Number of PlaneWaves for WaveFunctioNs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nqpt", "description":"ABINIT variable Number of Q - POINTs", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nqptdm", "description":"ABINIT variable Number of Q-PoinTs for the Dielectric Matrix", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nscforder", "description":"ABINIT variable SCaling Function ORDER", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nshiftk", "description":"ABINIT variable Number of SHIFTs for K point grids", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nshiftq", "description":"ABINIT variable Number of SHIFTs for Q point grids", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nspden", "description":"ABINIT variable Number of SPin-DENsity components", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nspinor", "description":"ABINIT variable Number of SPINORial components of the wavefunctions", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nsppol", "description":"ABINIT variable Number of SPin POLarization", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nstep", "description":"ABINIT variable Number of (non-)self-consistent field STEPS", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nsym", "description":"ABINIT variable Number of SYMmetry operations", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ntime", "description":"ABINIT variable Number of TIME steps", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ntimimage", "description":"ABINIT variable Number of TIME steps for IMAGE propagation", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ntypalch", "description":"ABINIT variable Number of TYPe of atoms that are \"ALCHemical\"", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ntypat", "description":"ABINIT variable Number of TYPEs of atoms", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ntyppure", "description":"ABINIT variable Number of TYPe of atoms that are \"PURe\"", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_nucdipmom", "description":"ABINIT variable NUClear DIPole MOMents", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f", "shape":["x_abinit_var_natom",3] },{ "name":"x_abinit_var_nwfshist", "description":"ABINIT variable Number of WaveFunctionS HISTory", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_objaat", "description":"ABINIT variable OBJect A : list of AToms, OBJect B : list of AToms", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i", "shape":["x_abinit_var_objan"] },{ "name":"x_abinit_var_objaax", "description":"ABINIT variable OBJect A : AXis, OBJect B : AXis", "superNames":["x_abinit_section_input","x_abinit_var"], "units":"bohr", "dtypeStr":"f" },{ "name":"x_abinit_var_objan", "description":"ABINIT variable OBJect A : Number of atoms, OBJect B : Number of atoms", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_objarf", "description":"ABINIT variable OBJect A : Repetition Factors, OBJect B : Repetition Factors", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_objaro", "description":"ABINIT variable OBJect A : ROtations, OBJect B : ROtations", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f" },{ "name":"x_abinit_var_objatr", "description":"ABINIT variable OBJect A : TRanslations, OBJect B : TRanslations", "superNames":["x_abinit_section_input","x_abinit_var"], "units":"bohr", "dtypeStr":"f" },{ "name":"x_abinit_var_objbat", "description":"ABINIT variable OBJect A : list of AToms, OBJect B : list of AToms", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_objbax", "description":"ABINIT variable OBJect A : AXis, OBJect B : AXis", "superNames":["x_abinit_section_input","x_abinit_var"], "units":"bohr", "dtypeStr":"f" },{ "name":"x_abinit_var_objbn", "description":"ABINIT variable OBJect A : Number of atoms, OBJect B : Number of atoms", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_objbrf", "description":"ABINIT variable OBJect A : Repetition Factors, OBJect B : Repetition Factors", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_objbro", "description":"ABINIT variable OBJect A : ROtations, OBJect B : ROtations", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f" },{ "name":"x_abinit_var_objbtr", "description":"ABINIT variable OBJect A : TRanslations, OBJect B : TRanslations", "superNames":["x_abinit_section_input","x_abinit_var"], "units":"bohr", "dtypeStr":"f" },{ "name":"x_abinit_var_occ", "description":"ABINIT variable OCCupation numbers", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f", "shape":["sum(x_abinit_var_nband)"] },{ "name":"x_abinit_var_occopt", "description":"ABINIT variable OCCupation OPTion", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_omegasimax", "description":"ABINIT variable OMEGA to evaluate Sigma along the Imaginary axis D: MAXimal value", "superNames":["x_abinit_section_input","x_abinit_var"], "units":"hartree", "dtypeStr":"f" },{ "name":"x_abinit_var_omegasrdmax", "description":"ABINIT variable OMEGA to evaluate the Sigma Real axis Derivative : MAXimal value", "superNames":["x_abinit_section_input","x_abinit_var"], "units":"hartree", "dtypeStr":"f" },{ "name":"x_abinit_var_optcell", "description":"ABINIT variable OPTimize the CELL shape and dimensions", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_optdriver", "description":"ABINIT variable OPTions for the DRIVER", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_optforces", "description":"ABINIT variable OPTions for the calculation of FORCES", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_optnlxccc", "description":"ABINIT variable OPTion for the calculation of Non-Linear eXchange-Correlation Core Correction", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_optstress", "description":"ABINIT variable OPTion for the computation of STRess", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_ortalg", "description":"ABINIT variable ORThogonalisation ALGorithm", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_papiopt", "description":"ABINIT variable PAPI OPTion", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_paral_atom", "description":"ABINIT variable activate PARALelization over (paw) ATOMic sites", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_paral_kgb", "description":"ABINIT variable activate PARALelization over K-point, G-vectors and Bands", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_paral_rf", "description":"ABINIT variable activate PARALlelization over Response Function perturbations", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawcpxocc", "description":"ABINIT variable PAW - use ComPleX rhoij OCCupancies", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawcross", "description":"ABINIT variable PAW - add CROSS term in oscillator strengths", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawecutdg", "description":"ABINIT variable PAW - Energy CUToff for the Double Grid", "superNames":["x_abinit_section_input","x_abinit_var"], "units":"hartree", "dtypeStr":"f" },{ "name":"x_abinit_var_pawfatbnd", "description":"ABINIT variable PAW: print band structure in the FAT-BaND representation", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawlcutd", "description":"ABINIT variable PAW - L angular momentum used to CUT the development in moments of the Densitites", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawlmix", "description":"ABINIT variable PAW - maximum L used in the spherical part MIXing", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawmixdg", "description":"ABINIT variable PAW - MIXing is done (or not) on the (fine) Double Grid", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawnhatxc", "description":"ABINIT variable PAW - Flag for exact computation of gradients of NHAT density in eXchange-Correlation.", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawnphi", "description":"ABINIT variable PAW - Number of PHI angles used to discretize the sphere around each atom.", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawntheta", "description":"ABINIT variable PAW - Number of THETA angles used to discretize the sphere around each atom.", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawnzlm", "description":"ABINIT variable PAW - only compute Non-Zero LM-moments of the contributions to the density from the spheres", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawoptmix", "description":"ABINIT variable PAW - OPTion for the MIXing of the spherical part", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawoptosc", "description":"ABINIT variable PAW - OPTion for the computation of the OSCillator matrix elements", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawovlp", "description":"ABINIT variable PAW - spheres OVerLap allowed (in percentage)", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"f" },{ "name":"x_abinit_var_pawprt_b", "description":"ABINIT variable PAW print band", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawprt_k", "description":"ABINIT variable PAW print k-point", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawprtden", "description":"ABINIT variable PAW: PRinT total physical electron DENsity", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawprtdos", "description":"ABINIT variable PAW: PRinT partial DOS contributions", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawprtvol", "description":"ABINIT variable PAW: PRinT VOLume", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawprtwf", "description":"ABINIT variable PAW: PRinT WaveFunctions", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawspnorb", "description":"ABINIT variable PAW - option for SPiN-ORBit coupling", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawstgylm", "description":"ABINIT variable PAW - option for the STorage of G_l(r).YLM(r)", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawsushat", "description":"ABINIT variable PAW - SUSceptibility, inclusion of HAT (compensation charge) contribution", "superNames":["x_abinit_section_input","x_abinit_var"], "dtypeStr":"i" },{ "name":"x_abinit_var_pawujat", "description":"ABINIT variable PAW+macro_UJ, ATom number", 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