| Back to the main page of this manual | Input reference of CP2K version 2.3 (Revision 12341) |
| ATOM {KIND1} | |
| Defines the atomic kind for this damping function. | |
| This required keyword cannot be repeated and it expects precisely one word. |
| BIJ {REAL} | |
| Defines the BIJ parameter for this damping. | |
| This required keyword cannot be repeated and it expects precisely one real. | |
| Default unit: [angstrom^-1] |
| CIJ {REAL} | |
| Defines the CIJ parameter for this damping. | |
| This required keyword cannot be repeated and it expects precisely one real. |
| ORDER {INTEGER} | |
| Defines the order for this damping. | |
| This required keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 3 |
| TYPE {STRING} | |
| Defines the damping type. | |
| This required keyword cannot be repeated and it expects precisely one word. | |
| Default value: TANG-TOENNIES |
| Back to the main page of this manual or the CP2K home page | (Last update: 3.9.2012) |