Back to the main page of this manual | Input reference of CP2K version 2022.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
LINRES /
CURRENT /
INTERPOLATOR
AINT_PRECOND {Keyword} |
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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 |
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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} |
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the interpolator to use | |
This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
PW |
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List of valid keywords:
|
MAX_ITER {Integer} |
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the maximum number of iterations | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
100 |
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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 |
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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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