| Back to the main page of this manual | Input reference of CP2K version 2.5.1 (Revision svn:13632) |
| 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-10 |
| 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-10 |
| 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. |
| Back to the main page of this manual or the CP2K home page | (Last update: 29.10.2015) |