| Back to the main page of this manual | Input reference of CP2K version 5.1 (Revision svn:18091) |
| &RDF {Logical} | |
| Whether or not to actually calculate this property | |
| This keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. |
| CENTERS_FILE_NAME {String} | |
| Calculate RDFs wrt centers read from a file | |
| This keyword cannot be repeated and it expects precisely one string. | |
| Default value: centers.xyz |
| MAXR {Real} | |
| Maximum RDF range, defaults to unit cell size | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default unit: [angstrom] |
| NBIN {Integer} | |
| Number of bins | |
| This keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 250 |
| Back to the main page of this manual or the CP2K home page | (Last update: 24.10.2017) |