next up previous contents index
Next: INCREM Up: INCAR tags Previous: SHAKETOL and SHAKEMAXITER   Contents   Index


HILLS_H, HILLS_W, and HILLS_BIN

In metadynamics (see Sec. 6.62.1), the parameters for bias potential (see eq. 6.18) must be provided by the user.

HILLS_H=[real] height of a Gaussian hill (in $ eV$)

Default
HILLS_H=1e-3

HILLS_W=[real] parameter controlling the width of the Gaussian hill in units of the corresponding collective variable

Default
HILLS_W=1e-3

HILLS_BIN=[int] the bias potential is updated after each HILLS_BIN simulation steps.

Default
HILLS_BIN=NSW



N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at