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 -- \|/ |^.^| +---!OO--\_/--OO!------------------------------+----------------------- ! Dr.Víctor Luaña ! ! Departamento de Química Física y Analítica ! ! Universidad de Oviedo, 33006-Oviedo, Spain ! ! e-mail: %%vic...@fluor.quimica.uniovi.es%% ! ! phone: +34-985-103491 fax: +34-985-103125 ! +----------------------------------------------+ GroupPage : http://azufre.quimica.uniovi.es/ (being reworked) Instititional email: <vlu...@uniovi.es> _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html