[Wien] number of k-points problem when plotting band structure

2011-11-07 Thread Peter Blaha
Maybe it is a spin-polarized case ? Then you have to edit optimize.job and execute runsp_lapw instead of run_lapw. Am 06.11.2011 05:39, schrieb ??: Thanks. I have drawn the band structure following your advice. Here is another problem I met. It is my first time to do volume optimization

[Wien] PhD job offer

2011-11-07 Thread ROBERTO LUIS IGLESIAS PASTRANA
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[Wien] Hey Wien

2011-11-07 Thread zia.alig....@gmail.com
Sup how are you? i've never seen this you need to take this into consideration http://t.co/dlRAwmwq

[Wien] errors during instalation.

2011-11-07 Thread Zahra Talebi
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[Wien] Calculation for Heavy atom

2011-11-07 Thread David Tompsett
://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/2007/89941621/attachment.htm

[Wien] errors during instalation.

2011-11-07 Thread Gavin Abo
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