HILLS W: Difference between revisions
No edit summary |
No edit summary |
||
| Line 3: | Line 3: | ||
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]]). | ||
---- | ---- | ||
In [[ | In [[Metadynamics|metadynamics]] ({{TAG|MDALGO}}=11 {{!}} 21), the parameters for the bias potential ({{TAG|HILLS_H}}, {{TAG|HILLS_W}}, and {{TAG|HILLS_BIN}}) must be provided by the user. | ||
The width of the Gaussian hills (in units of the corresponding collective variable) used in the [[MDALGO#Metadynamics|metadynamics]] is set by means of the {{TAG|HILLS_W}}-tag. | The width of the Gaussian hills (in units of the corresponding collective variable) used in the [[MDALGO#Metadynamics|metadynamics]] is set by means of the {{TAG|HILLS_W}}-tag. | ||
Revision as of 09:19, 6 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 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.