HILLS W: Difference between revisions

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{{DISPLAYTITLE:HILLS_W}}
{{DISPLAYTITLE:HILLS_W}}{{TAGDEF|HILLS_W|[Real]|<math>10^{-3}</math>}}
 
{{TAGDEF|HILLS_W|[Real]|<math>10^{-3}</math>}}


Description: {{TAG|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 [[Precompiler_flags|-Dtbdyn]]).
Description: {{TAG|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 [[Precompiler_flags|-Dtbdyn]]).
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[[Category:INCAR tag]][[Category:Molecular Dynamics]][[Category:Metadynamics]]
[[Category:INCAR tag]][[Category:Molecular dynamics]][[Category:Metadynamics]]

Revision as of 13:56, 7 April 2022

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 bias potential is given as

Thre parameters (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) is set by HILLS_W.

Related tags and articles

Metadynamics, HILLS_H, HILLS_BIN, MDALGO

Examples that use this tag