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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{{TAG|HILLS_H}}, | {{TAG|HILLS_H}}, | ||
{{TAG|HILLS_BIN}}, | {{TAG|HILLS_BIN}}, | ||
{{FILE|HILLSPOT}}, | |||
{{TAG|MDALGO}} | {{TAG|MDALGO}} | ||
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[[Category:INCAR tag]][[Category:Molecular | [[Category:INCAR tag]][[Category:Molecular dynamics]][[Category:Metadynamics]] | ||
Latest revision as of 08:16, 29 March 2024
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, HILLSPOT, MDALGO