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 09:25, 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.

Related Tags and Sections

IBRION, MDALGO

Examples that use this tag