HILLS W

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

Description: HILLS_W specifies the width of the Gaussian hill (in units of the corresponding collective variable) used in metadynamics (in case VASP was compiled with -Dtbdyn).

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In metadynamics (MDALGO=11 | 21), the parameters for the bias potential (HILLS_H, HILLS_W, and HILLS_BIN) must be provided by the user.

The width of the Gaussian hills (in units of the corresponding collective variable) used in the metadynamics is set by means of the HILLS_W-tag.

Related Tags and Sections

HILLS_H, HILLS_BIN, MDALGO

Examples that use this tag

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