HILLS_W

From VASP Wiki

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, MDALGO

Examples that use this tag