[Wien] potential

[Peter Blaha]

As mentioned before, you should not use case.vsp/vns.

But there is a more or less "standard" method:

Instead use the R2V option in lapw0 and create case.vtotal.

The potential in this format can be used in lapw5 (see UG) to create V 
on a grid in a single plane.

You can also use   prepare_xsf_lapw   (see UG) to create a 3D grid of 
the potential (in a format suitable for viewing in xcrysden, but I'm 
sure it can be converted easily to other formats).


Am 31.08.2016 um 16:25 schrieb Yundi Quan:
> Is there a way to convert the potential in case.vns and case.vsp into a
> real space grid with Nx, Ny, Nz number of points along \vec{a}, \vec{b}
> and \vec{c} respectively? Thanks.
>
>
> Yundi
>
>
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