| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
MGRID /
INTERPOLATORAINT_PRECOND {Keyword} |
|
| the approximate inverse to use to get the starting point for the linear solver of the spline3 methods | |
| This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
SPL3_NOPBC_AINT1 |
|
List of valid keywords:
|
EPS_R {Real} |
|
| accuracy on the residual for spline3 the interpolators | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-010 |
EPS_X {Real} |
|
| accuracy on the solution for spline3 the interpolators | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-010 |
KIND {Keyword} |
|
| the interpolator to use | |
| This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
PW |
|
List of valid keywords:
|
MAX_ITER {Integer} |
|
| the maximum number of iterations | |
| This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
100 |
|
| Alias names for this keyword: MAXITER |
PRECOND {Keyword} |
|
| The preconditioner used for the linear solver of the spline3 methods | |
| This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
SPL3_NOPBC_PRECOND3 |
|
List of valid keywords:
|
SAFE_COMPUTATION {Logical} |
|
| if a non unrolled calculation is to be performed in parallel | |
| This keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to
.TRUE. |
|
Default value:
.FALSE. |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |