RANDOM_SEED

From VASP Wiki
Revision as of 14:24, 7 April 2022 by Huebsch (talk | contribs)

RANDOM_SEED = [integer][integer][integer]
Default: RANDOM_SEED = based on the system clock 

Description: RANDOM_SEED specifies the seed of the random-number generator (compile VASP with -Dtbdyn).


The random-number generator (RNG) generates a sequence of random numbers for molecular-dynamics simulations for example to initialize atomic velocities and for the Andersen thermostat (MDALGO=1 | 11). The seed for the RNG determines the trajectory a molecular-dynamics simulation takes. Set the RANDOM_SEED tag to reproduce a previously performed calculation.

A typical input for the RANDOM_SEED looks like this:

RANDOM_SEED =         248489752                0                0

The initial value of RANDOM_SEED and the value after each MD step are written to the REPORT file.

Related tags and articles

IBRION, MDALGO

Examples that use this tag