HILLS W: Difference between revisions

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{{TAG|HILLS_H}},
{{TAG|HILLS_H}},
{{TAG|HILLS_BIN}},
{{TAG|HILLS_BIN}},
{{FILE|HILLSPOT}},
{{TAG|MDALGO}}
{{TAG|MDALGO}}



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

Examples that use this tag