_SECTION_PARAMETERS_ | |
&xc_functional BLYP | |
shorcut for the most commont functionals combinations | |
This optional keyword expects a keyword | |
This keyword behaves as a switch NO_SHORTCUT . Default value: NO_SHORTCUT | |
valid keywords: B3LYP, PBE0, BLYP, BP, PADE, PBE, TPSS, HCTH120, OLYP, NO_SHORTCUT, NONE |