HILLS W: Difference between revisions
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{{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 -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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In [[MDALGO#Metadynamics|metadynamics]] ({{TAG|MDALGO}}=11 {{!}} 21), the parameters for bias potential ({{TAG|HILLS_H}}, {{TAG|HILLS_W}}, and {{TAG|HILLS_BIN}}) must be provided by the user. | In [[MDALGO#Metadynamics|metadynamics]] ({{TAG|MDALGO}}=11 {{!}} 21), the parameters for bias potential ({{TAG|HILLS_H}}, {{TAG|HILLS_W}}, and {{TAG|HILLS_BIN}}) must be provided by the user. | ||
Revision as of 13:47, 28 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.