| Back to the main page of this manual | Input reference of CP2K version 7.1 |
CP2K_INPUT /
FORCE_EVAL /
PW_DFT /
MIXERBETA {Real} |
|
| Mixing parameter. | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.00000000E-001 |
BETA0 {Real} |
|
| Mixing ratio in case of initial linear mixing. | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.50000000E-001 |
BETA_SCALING_FACTOR {Real} |
|
| Scaling factor for mixing parameter. | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
LINEAR_MIX_RMS_TOL {Real} |
|
| RMS tolerance above which the linear mixing is triggered. | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+006 |
MAX_HISTORY {Integer} |
|
| Number of history steps for Broyden-type mixers. | |
| This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
8 |
SUBSPACE_SIZE {Integer} |
|
| Size of the variational subspace is this number times the number of bands. | |
| This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
4 |
TYPE {Keyword} |
|
| type of mixer | |
| This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
LINEAR |
|
List of valid keywords:
|
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