FMP_SNUMBER
FMP_SNUMBER = integer
Default: FMP_SNUMBER = 10
Description: Number of slabs perpendicular to the temperature gradient in the Müller-Plathe method.
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