Back to the main page of this manual | Input reference of CP2K version 2.1.820 |
DX <REAL> | |
Parameter used for computing the derivative with the Ridders method. | |
This optional keyword cannot be repeated and it expects precisely one real. | |
Default value: 1.00000000E-01 | |
Default unit: [bohr] |
ERROR_LIMIT <REAL> | |
Checks that the error in computing the derivative is not larger than the value set. In case prints a warning message. | |
This optional keyword cannot be repeated and it expects precisely one real. | |
Default value: 1.00000000E-12 |
FUNCTION X^2+Y^2+Z^2+LOG(ABS(X+Y)) | |
Specifies the functional form in mathematical notation. Variables must be the atomic coordinates (X,Y,Z) of the grid. | |
This required keyword cannot be repeated and it expects precisely one string. |
PARAMETERS A B D | |
Defines the parameters of the functional form | |
This required keyword can be repeated and it expects a list of words. |
STATIC T | |
Specifies the external potential as STATIC or time dependent. At the moment only static potentials are implemented. | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .TRUE. |
VALUES | |
Defines the values of parameter of the functional form | |
This required keyword can be repeated and it expects a list of reals. | |
Default unit: [internal_cp2k] |
Back to the main page of this manual or the CP2K home page | (Last update: 30.1.2012) |