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 |
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