[Wien] error in plotting electron density
Víctor Luaña Cabal
victor at fluor.quimica.uniovi.es
Wed Feb 26 20:42:43 CET 2014
On Wed, Feb 26, 2014 at 03:18:06PM -0500, Farshad Nejadsattari wrote:
> Dear Wien2k users and Developers,
>
> I am working on the compound FeNiSn and when I try to plot the electron
> density for spin up, at the x lapw -up stage I receive this error:
>
The route of examining the density, the Laplacian of the density and
so on has already been explored. You can check:
http://cpc.cs.qub.ac.uk/summaries/AECB_v1_0.html
and follow the line up or down.
Regards,
Dr. Víctor Luaña
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! Dr.Víctor Luaña !
! Departamento de Química Física y Analítica !
! Universidad de Oviedo, 33006-Oviedo, Spain !
! e-mail: %%victor at fluor.quimica.uniovi.es%% !
! phone: +34-985-103491 fax: +34-985-103125 !
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