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DIPOL = [ real array ]
DIPOL-tag (VASP.3.2 only)
For VASP.4.X behavior please refer to section 6.64.
It is possible to calculate the total
dipole-moment in the cell, using the option
Mind: the calculation of the dipole requires a definition
of the center of the cell, and results might differ for
different positions. You should use this option
only for surfaces and isolated molecules. In this
case use the center of mass for the position
(for surface only the component normal
to the surface is meaningful).
center of cell (in direct coordinates)
The main problem is that the definition of the dipole
'destroys' the translational symmetry, i.e.
the dipole is defined as
Now this makes only sense if
drops to zero at some distance from
If this is not the case, the values are extremely
sensible with respect to changes in
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