RANDOM SEED: Difference between revisions
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Description: {{TAG|RANDOM_SEED}} specifies the seed of the random-number-generator (in case VASP was compiled with [[Precompiler_flags|-Dtbdyn]]). | Description: {{TAG|RANDOM_SEED}} specifies the seed of the random-number-generator (in case VASP was compiled with [[Precompiler_flags|-Dtbdyn]]). | ||
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The random number generator (RNG) is used at several instances of a molecular-dynamics simulation such as the initialization of atomic velocities, the Andersen thermostat ({{TAG|MDALGO}}=1 {{!}} 11), etc. The seed for the RNG can be supplied by the user by means of the {{TAG|RANDOM_SEED}}-tag. This is useful, for instance, if one needs to reproduce a previously performed calculation. | The random-number generator (RNG) is used at several instances of a molecular-dynamics simulation such as the initialization of atomic velocities, the Andersen thermostat ({{TAG|MDALGO}}=1 {{!}} 11), etc. The seed for the RNG can be supplied by the user by means of the {{TAG|RANDOM_SEED}}-tag. This is useful, for instance, if one needs to reproduce a previously performed calculation. | ||
An input for the random seed should look like the following: | An input for the random seed should look like the following: | ||
Revision as of 09:32, 6 April 2022
RANDOM_SEED = [integer][integer][integer]
Default: RANDOM_SEED = based on the system clock
Description: RANDOM_SEED specifies the seed of the random-number-generator (in case VASP was compiled with -Dtbdyn).
The random-number generator (RNG) is used at several instances of a molecular-dynamics simulation such as the initialization of atomic velocities, the Andersen thermostat (MDALGO=1 | 11), etc. The seed for the RNG can be supplied by the user by means of the RANDOM_SEED-tag. This is useful, for instance, if one needs to reproduce a previously performed calculation.
An input for the random seed should look like the following:
RANDOM_SEED = 248489752 0 0
The initial value of RANDOM_SEED, and the value after performing each MD step are written in the REPORT file.