LANGEVIN GAMMA

From VASP Wiki

LANGEVIN_GAMMA = [Real array]
Default: LANGEVIN_GAMMA = NTYP×0 

Description: LANGEVIN_GAMMA specifies the friction coefficients (in ps-1) for atomic degrees-of-freedom when using a Langevin thermostat (in case VASP was compiled with -Dtbdyn).


When using a Langevin thermostat[1] (MDALGO=3), the friction coefficients γ for the atomic degrees-of-freedom are specified (in ps-1) using the LANGEVIN_GAMMA-tag.

One has to specify a separate friction coefficient for each of the NTYP atomic species found on the POTCAR-file.

Related Tags and Sections

LANGEVIN_GAMMA_L, MDALGO

References

  1. M. P. Allen and D. J. Tildesley, Computer simulation of liquids, Oxford university press: New York, 1991.

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