FMP SNUMBER: Difference between revisions
(Created page with "{{DISPLAYTITLE:FMP_SNUMBER}} {{TAGDEF|FMP_SNUMBER|integer | 10}} Description: Number of slabs perpendicular to the temperature gradient in the Müller-Plathe method. ----- {{TAG|FMP_SNUMBER}} defines the number of slabs perpendicular to the lattice vector <math>\mathbf{a}_i</math> along which the gradient <math>\partial T/\partial \mathbf{a}_i </math> is created during the reverse nonequilibrium molecular dynamics run using the Müller-Plathe method. {{NB|mind...") |
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Latest revision as of 10:14, 18 December 2024
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