yes

On Thursday 2016-09-01 12:56, Yundi Quan wrote:

Date: Thu, 1 Sep 2016 12:56:49
From: Yundi Quan <quanyu...@gmail.com>
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] potential

Does the procedure stay the same if I use modified Becke-John potential?

Yundi

On Wed, Aug 31, 2016 at 5:12 PM, Yundi Quan <quanyu...@gmail.com> wrote:
     Thanks.
Yundi

On Wed, Aug 31, 2016 at 11:27 AM, Peter Blaha
<pbl...@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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