FMP_SNUMBER

FMP_SNUMBER = integer
Default: FMP_SNUMBER = 10 

Description: Number of slabs perpendicular to the temperature gradient in the Müller-Plathe method.

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FMP_SNUMBER defines the number of slabs perpendicular to the lattice vector [math]\displaystyle{ \mathbf{a}_i }[/math] along which the gradient [math]\displaystyle{ \partial T/\partial \mathbf{a}_i }[/math] is created during the reverse nonequilibrium molecular dynamics run using the Müller-Plathe method.

Mind: This tag will only be available from VASP 6.4.4

Related tags and articles

Müller-Plathe method, FMP_ACTIVE, FMP_DIRECTION, FMP_SWAPNUM, FMP_PERIOD