Back to the main page of this manual | Input reference of CP2K version 4.1 (Revision svn:17462) |
AINT_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: SPLINE3_NOPBC | |
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. |
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