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12 lines
578 B
INI
12 lines
578 B
INI
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[density_for_dft]
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type: character*(32)
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doc: Type of density used for DFT calculation. If set to WFT , it uses the density of the wave function stored in (psi_det,psi_coef). If set to input_density it uses the one-body dm stored in aux_quantities/ . If set to damping_rs_dft it uses the damped density between WFT and input_density. In the ks_scf and rs_ks_scf programs, it is set to WFT.
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interface: ezfio, provider, ocaml
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default: WFT
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[damping_for_rs_dft]
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type: double precision
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doc: damping factor for the density used in RSFT.
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interface: ezfio,provider,ocaml
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default: 0.5
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