| Back to the main page of this manual | Input reference of CP2K version 2.5.1 (Revision svn:13632) |
| &BECKE_ROUSSEL {Logical} | |
| activates the functional | |
| This keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. |
| CUTOFF_RADIUS {Real} | |
| Defines the cutoff radius for the truncation. If put to zero, the standard full range potential will be used | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 0.00000000E+00 |
| GAMMA {Real} | |
| Parameter in the exchange hole. Usually this is put to 1.0 or 0.8 | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.00000000E+00 |
| SCALE_X {Real} | |
| scales the exchange part of the functional | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.00000000E+00 |
| Back to the main page of this manual or the CP2K home page | (Last update: 29.10.2015) |