[Wien] potential

[Laurence Marks]

I am 99% certain that there is nothing which will do this
automatically for you, some work will be required.

I am pretty certain that you can use the R2V option in case.in0 to
output vtotal. You would then need to do something like use lapw5 to
generate a number of different slices, or use lapw3 (modified input)
to generate the Fourier coefficients than do your own Fourier
transform of them.

N.B., you will have to pay attention to norms and be careful otherwise
it will be GIGO.

On Wed, Aug 31, 2016 at 9:25 AM, Yundi Quan <quanyundi at gmail.com> wrote:
> 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



-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what
nobody else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
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