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Random number generator (RNG) is used at several instances of a molecular dynamics simulation such as the initialization of atomic velocities, Andersen thermostat, etc. The seed for the RNG can be supplied by the user via the parameter RANDOM_SEED in the INCAR. This is useful, for instance, if one needs to reproduce a previously performed calculation.

RANDOM_SEED=[int array] seed for random number generator

Generated randomly on the basis of the system clock

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

N.B. Requests for support are to be addressed to: