HILLS W: Difference between revisions
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{{sc|HILLS_W|Examples|Examples that use this tag}} | {{sc|HILLS_W|Examples|Examples that use this tag}} | ||
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[[Category:INCAR]][[Category:Molecular Dynamics]] | [[Category:INCAR]][[Category:Molecular Dynamics]][[Category:Metadynamics]] | ||
Revision as of 09:06, 17 April 2019
HILLS_W = [Real]
Default: HILLS_W =
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).
In metadynamics (MDALGO=11 | 21), the parameters for 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.