Back to the main page of this manual | Input reference of CP2K version 2.4.0 (Revision 12993) |
activates the functional | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
FUNCTIONAL XC_GGA_X_PBE XC_GGA_C_PBE | |
names of the functionals, see also http://www.tddft.org/programs/octopus/wiki/index.php/Libxc:manual .The precise list of available functionals depends on the version of libxc interfaced (currently 2.0.1). | |
This required keyword cannot be repeated and it expects a list of words. |
parameters of the functionals | |
This optional keyword cannot be repeated and it expects a list of reals. | |
Default value: 1.00000000E+20 |
SCALE 1.0 1.0 | |
scaling factors of the functionals | |
This optional keyword cannot be repeated and it expects a list of reals. | |
Default value: 1.00000000E+00 |
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