FMP_DIRECTION
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