CASTEP keyword glossary
This list provides all of the keywords and data blocks used in both the .param
and .cell
CASTEP input files, in
alphabetical order.
Each keyword topic contains the following information: keyword type, keyword description, default value, and examples of usage. The keyword type can be integer, real, string, or logical, and determines the format of the value to provide.
The keywords and keyword blocks in the input files are not case-sensitive.
B | C | D | E | F | G | H | I | K | L | M | N | O | P | Q | R | S | T | U | V | W | X
IMPLICIT_SOLVENT_APOLAR_FACTOR
IMPLICIT_SOLVENT_SURFACE_TENSION