HILLS BIN: Difference between revisions
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{{TAGDEF|HILLS_BIN|[Integer]|{{TAG|NSW}}}} | {{TAGDEF|HILLS_BIN|[Integer]|{{TAG|NSW}}}} | ||
Description: {{TAG|HILLS_BIN}} sets the number of steps after which the bias potential is updated in a metadynamics run (in case VASP was compiled with -Dtbdyn). | Description: {{TAG|HILLS_BIN}} sets the number of steps after which the bias potential is updated in a metadynamics run (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_BIN = [Integer]
Default: HILLS_BIN = NSW
Description: HILLS_BIN sets the number of steps after which the bias potential is updated in a metadynamics run (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 number of steps after which the bias potential is updated during a metadynamics run, is set by means of the HILLS_BIN-tag.