Back to the main page of this manual | Input reference of CP2K version 7.0 |
OCCUPIED_VOLUME_PENALTY_COEFF {Real} | |
Multiplication factor that determines the strength of the penalty term. [Edit] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value: 1.00000000E+000 |
OCCUPIED_VOLUME_PENALTY_METHOD {Keyword} | |
Penalty that prevents nonorthogonal orbitals from becoming linear dependent. [Edit] | |
This keyword cannot be repeated and it expects precisely one keyword. | |
Default value: NONE | |
List of valid keywords: |
Back to the main page of this manual or the CP2K home page | (Last update: 14.2.2019) |