[Wien] Wien Installation

2012-12-04 Thread K.V.P.Lata
). Best regards, Latha -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121204/e7e1d611/attachment.htm

[Wien] LDA+U problems

2012-12-04 Thread Peter Blaha
Use only positive values. Maybe the UG is not clear enough. Am 03.12.2012 21:51, schrieb Jifeng Sun: Dear Dr. Fecher, Thank you for your reply. As I read from the user guide, those are the atom idexes from *.struct file. And they are positive for cubic system, negative for non-cubic

[Wien] LDA+U problems

2012-12-04 Thread Jifeng Sun
Dear Dr. Blaha, Thank you so much, that helps a lot. Regards, Jifeng PhD candidate National High Magnetic Field Laboratory Condensed Matter Science Chemical Biomedical Engineering FAMU-FSU College of Engineering Florida State University sun at magnet.fsu.edu - Original Message -

[Wien] Help

2012-12-04 Thread mourad boujnah
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