[Wien] potential

[Yundi Quan]

Thanks.

Yundi

On Wed, Aug 31, 2016 at 11:27 AM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> 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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>>
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