HILLS W: Difference between revisions
Vaspmaster (talk | contribs) (Created page with '{{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 …') |
Vaspmaster (talk | contribs) |
||
| Line 8: | Line 8: | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG| | {{TAG|HILLS_H}}, | ||
{{TAG|HILLS_BIN}}, | {{TAG|HILLS_BIN}}, | ||
{{TAG|MDALGO}} | {{TAG|MDALGO}} | ||
Revision as of 10:24, 24 April 2014
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.