Back to the main page of this manual | Input reference of CP2K version 2.3 (Revision 12341) |
activates the functional | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
FUNCTIONAL_TYPE VWN5 | |
Which version of the VWN functional should be used | |
This optional keyword cannot be repeated and it expects precisely one keyword. | |
Default value: VWN5 | |
List of valid keywords:
|
scales the correlation part of the functional | |
This optional 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: 3.9.2012) |