LANGEVIN GAMMA
LANGEVIN_GAMMA = [Real array]
Default: LANGEVIN_GAMMA = NTYP×0.0
Description: LANGEVIN_GAMMA specifies the friction coefficients for the Langevin thermostat (in case VASP was compiled with -Dtbdyn).
The friction coefficients γ for the atomic degrees-of-freedom of the Langevin thermostat[1] (MDALGO=3), are specified 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
References
- ↑ M. P. Allen and D. J. Tildesley, Computer simulation of liquids, Oxford university press: New York, 1991.