SIC_SCALING_A | |
SIC_SCALING_A 0.5 | |
Scaling of the coulomb term in sic [experimental] | |
This optional keyword expects a real. Default value: 1.0000000000000000E+00
This keyword cites following reference: [VandeVondele2005b] | |
SIC_SCALING_B | |
SIC_SCALING_B 0.5 | |
Scaling of the xc term in sic [experimental] | |
This optional keyword expects a real. Default value: 1.0000000000000000E+00
This keyword cites following reference: [VandeVondele2005b] | |
SIC_METHOD | |
SIC_METHOD MAURI_US | |
Method used to remove the self interaction | |
This optional keyword expects a keyword. Default value: NONE | |
valid keywords:
This keyword cites following references: [VandeVondele2005b] [PERDEW1981] [dAvezac2005] | |
ORBITAL_SET | |
ORBITAL_SET ALL | |
Type of orbitals treated with the SIC | |
This optional keyword expects a keyword. Default value: UNPAIRED | |
valid keywords:
|