HILLS BIN: Difference between revisions
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[[Category:INCAR]][[Category:Molecular Dynamics]] | [[Category:INCAR]][[Category:Molecular Dynamics]][[Category:Metadynamics]] | ||
Revision as of 09:05, 17 April 2019
HILLS_BIN = [Integer]
Default: HILLS_BIN = NSW
Description: HILLS_BIN sets the number of steps after which the bias potential is updated in a metadynamics run (in case VASP was compiled with -Dtbdyn).
In metadynamics (MDALGO=11 | 21), the parameters for bias potential (HILLS_H, HILLS_W, and HILLS_BIN) must be provided by the user.
The number of steps after which the bias potential is updated during a metadynamics run, is set by means of the HILLS_BIN-tag.