Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
OPTIMIZE_INPUT
ACCURACY {Real} |
|
Final accuracy requested in optimization (RHOEND) [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-005 |
ITER_START_VAL {Integer} |
|
Used for restarting, starting value of the iteration [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
0 |
MAX_FUN {Integer} |
|
Maximum number of function evaluations [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
5000 |
METHOD {Keyword} |
|
What kind of input optimization to perform. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
FORCE_MATCHING |
|
List of valid keywords:
|
RANDOMIZE_VARIABLES {Real} |
|
Percentage randomization of the free variables applied initially [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
STEP_SIZE {Real} |
|
Initial step size for search algorithm (RHOBEG) [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.00000000E-002 |
Back to the main page of this manual or the CP2K home page | (Last update: 17.3.2023) |