_SECTION_PARAMETERS_ | |
activates the functional | |
This optional keyword expects a logical | |
This keyword behaves as a switch T . Default value: F | |
FUNCTIONAL | |
FUNCTIONAL LLP | |
Which one of the KE_GGA functionals should be used | |
This optional keyword expects a keyword. Default value: OL1 | |
valid keywords: OL1, OL2, LLP, PW86, PW91, LC, T92, PBE |