| Back to the main page of this manual | Input reference of CP2K version 2.5.1 (Revision svn:13632) |
| DENSITY_CUTOFF {Real} | |
| The cutoff on the density used by the xc calculation | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.00000000E-10 |
| DENSITY_SMOOTH_CUTOFF_RANGE {Real} | |
| Parameter for the smoothing procedure inxc calculation | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 0.00000000E+00 |
| FUNCTIONAL_ROUTINE {Keyword} | |
| Select the code for xc calculation | |
| This keyword cannot be repeated and it expects precisely one keyword. | |
| Default value: NEW | |
List of valid keywords:
|
| GRADIENT_CUTOFF {Real} | |
| The cutoff on the gradient of the density used by the xc calculation | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.00000000E-10 |
| TAU_CUTOFF {Real} | |
| The cutoff on tau used by the xc calculation | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.00000000E-10 |
| Back to the main page of this manual or the CP2K home page | (Last update: 29.10.2015) |