[Wien] installation of wien2k

2012-04-29 Thread Ramkumar Thapa
: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120429/1cfd03ff/attachment.htm

[Wien] EROOR IN LAPW2 , 'OUTP' - EOF not reached

2012-04-29 Thread Ali ALLAM
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[Wien] EROOR IN LAPW2 , 'OUTP' - EOF not reached

2012-04-29 Thread Ali Allam
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[Wien] Commandline: x nn

2012-04-29 Thread Gavin Abo
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[Wien] symmetry converts hexagonal structure to orthorhombic structure

2012-04-29 Thread Laurence Marks
Someone (Peter?) will need to answer this -- I reproduce what you find and I don't see it immediately. But on a deeper level, why are you choosing a cell without inversion symmetry? I suspect that if you analyze a bit more you will find one with inversion symmetry which will be faster as well as