"description":"scGW correlation energy at each iteration",
"dtypeStr":"f",
"name":"fhi_aims_energy_scgw_correlation_energy",
"repeats":true,
"shape":[],
"superNames":[
"energy_component",
"section_scf_iteration"
],
"units":"J"
},{
"description":"scGW single particle energy at each iteration",
"dtypeStr":"f",
"name":"fhi_aims_single_particle_energy",
"repeats":true,
"shape":[],
"superNames":[
"energy_component",
"section_scf_iteration"
],
"units":"J"
},{
"description":"The RPA correlation energy calculated from the Green's functions of the scGW at each iteration",
"dtypeStr":"f",
"name":"fhi_aims_scgw_rpa_correlation_energy",
"repeats":true,
"shape":[],
"superNames":[
"energy_component",
"section_scf_iteration"
],
"units":"J"
},{
"description":"Fit acccuracy for the Fast-Fourier Transforms necessary in the scGW formalism",
"dtypeStr":"f",
"name":"fhi_aims_poles_fit_accuracy",
"repeats":true,
"shape":[],
"superNames":[
"energy_component",
"section_scf_iteration"
]
},{
"description":"Section collecting the information on a density of states (DOS) evaluation. We need this extra section since we have to ensure that the parsed dos belongs to the last relaxation/MD step. We know this for sure only if section_run is closed. Therefore, this section belongs to section_run.",