[Wien] electron density plot
Víctor Luaña Cabal
victor at fluor.quimica.uniovi.es
Sun Feb 9 01:21:07 CET 2014
On Sat, Feb 08, 2014 at 11:51:41PM +0330, mohamadreza sahmani wrote:
> Dear Wien2k developers and users
> I want to plot electron density (2D) of a structure by XCrysDen.
> After following the procedure given in wien2k user guide, just a
> "Thermometer" Box appears. I want a plot like those depicted in Koller
> et al. (2011) [Merits and limits of mBJ exchange potential]
> Thanks
> Reza Sahmani, University of Mohaghegh, Iran
Dear Reza,
Electron density in crystals, QTAIM analysis, electron density laplacian,
Bader topology. maybe you will find useful the critic2 code. Look
<http://gatsby.ucmerced.edu/wiki/Critic2>.
Best regards,
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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