Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
MOTION /
TMC /
NMC_MOVES
INIT_ACC_PROB {Real} |
|
Defines the initial probability of accepting the move. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.00000000E-001 |
NMC_FILE_NAME {Word} |
|
input file name for the approximate potential for Nested Monte Carlo. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one word. | |
NR_NMC_STEPS {Integer} |
|
the number of Nested Mont Carlo moves with in one MC move should be huge enough to reach euilibrium state [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
-1 |
PROB {Real} |
|
Defines the probability of the NMC move (considering the ration between the selected other moves)the probabilities of the move types in the NMC section defines only the weight within the NMC steps [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
Back to the main page of this manual or the CP2K home page | (Last update: 8.6.2023) |