Back to the main page of this manual | Input reference of CP2K version 7.0 |
USE_FINER_GRID {Logical} | |
Uses a finer grid only to calculate the xc [Edit] | |
This keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
XC_DERIV {Keyword} | |
The method used to compute the derivatives [Edit] | |
This keyword cannot be repeated and it expects precisely one keyword. | |
Default value: PW | |
List of valid keywords:
|
XC_SMOOTH_RHO {Keyword} | |
The density smoothing used for the xc calculation [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) |