Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
TDDFPT /
XC /
HF /
PERIODIC
NUMBER_OF_SHELLS {Integer} |
|
Number of shells taken into account for periodicity. By default, cp2k tries to automatically evaluate this number. This algorithm might be to conservative, resulting in some overhead. You can try to adjust this number in order to make a calculation cheaper. | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
-1 |
Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |