_SECTION_PARAMETERS_ | |
&DFT_PLUS_U ON | |
controls the activation of the DFT+U section | |
This optional keyword expects a logical | |
This keyword behaves as a switch T . Default value: F | |
L | |
L 2 | |
Angular momentum quantum number of theorbitals to which the correction is applied | |
This required keyword expects an integer. Default value: -1 | |
U_MINUS_J | |
U_MINUS_J [eV] 1.4 | |
Effective parameter U(eff) = U - J | |
This required keyword expects a real. Default unit: [hartree], default value: 0.0000000000000000E+00 hartree |