Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
ATOMIC
ENERGY {Logical} |
|
Calculate atomic energies [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to
.TRUE. |
|
Default value:
.FALSE. |
PRESSURE {Logical} |
|
Calculate atomic pressure tensors [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to
.TRUE. |
|
Default value:
.FALSE. |
Back to the main page of this manual or the CP2K home page | (Last update: 31.5.2023) |