Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
ET_COUPLING /
PROJECTION /
BLOCK
ATOMS {Integer} ... |
|
Array of atom IDs in the system part | |
This keyword cannot be repeated and it expects a list of integers. |
NELECTRON {Integer} |
|
Number of electrons expected in the system part | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
0 |
Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2021) |