Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
NEGF /
CONTACT /
BULK_REGION
LIST {Integer} ... or a range {Integer}..{Integer} |
|
Specifies a list of atoms. | |
This keyword can be repeated and it expects a list of integers. |
MOLNAME {Word} ... |
|
Specifies a list of named molecular fragments. | |
This keyword can be repeated and it expects a list of words. |
Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |