FMP DIRECTION: Difference between revisions
(Created page with "{{DISPLAYTITLE:FMP_DIRECTION}} {{TAGDEF|FMP_DIRECTION|1 {{!}} 2 {{!}} 3 | 3}} Description: Index of the lattice vector <math>\mathbf{a}_i</math> along which the temperature gradient is created in the (Müller-Plathe method). ----- {{TAG|FMP_DIRECTION}} defines the index of 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...") |
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Latest revision as of 10:18, 18 December 2024
FMP_DIRECTION = 1 | 2 | 3
Default: FMP_DIRECTION = 3
Description: Index of the lattice vector [math]\displaystyle{ \mathbf{a}_i }[/math] along which the temperature gradient is created in the (Müller-Plathe method).
FMP_DIRECTION defines the index of 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_SNUMBER, FMP_SWAPNUM, FMP_PERIOD