FMP_SNUMBER

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Revision as of 10:14, 18 December 2024 by Jona (talk | contribs) (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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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 along which the gradient 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

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