RANDOM SEED: Difference between revisions
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{{DISPLAYTITLE: RANDOM_SEED}} | {{DISPLAYTITLE: RANDOM_SEED}}{{TAGDEF|RANDOM_SEED|[integer][integer][integer]|based on the system clock}} | ||
Description: {{TAG|RANDOM_SEED}} specifies the seed of the random-number generator (compile VASP with [[Precompiler options#-Dtbdyn|-Dtbdyn]]). | |||
Description: {{TAG|RANDOM_SEED}} specifies the seed of the random-number generator (compile VASP with [[ | |||
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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 ({{TAG|MDALGO}}=1 {{!}} 11). | 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 ({{TAG|MDALGO}}=1 {{!}} 11). | ||
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[[Category:INCAR tag]][[Category:Molecular | [[Category:INCAR tag]][[Category:Molecular dynamics]] | ||
Revision as of 14:24, 7 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 (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.