HILLS H: Difference between revisions

Revision as of 17:16, 15 February 2019

HILLS_H = [Real]
Default: HILLS_H = $10^{-3}$

Description: HILLS_H specifies the height of the Gaussian hill (in eV) used in metadynamics (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 height of the Gaussian hills (in eV) used in the metadynamics is set by means of the HILLS_H-tag.

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