[Wien] Suggestions on min_lapw

2012-05-18 Thread Ghosh SUDDHASATTWA
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[Wien] problem in wien2k11 installation

2012-05-18 Thread Gavin Abo
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[Wien] Suggestions on min_lapw

2012-05-18 Thread Peter Blaha
:WARNING: Step size reduced due to overlapping spheres -- check RMT ?stop error Can anybody suggest what the problem is and how it can be sorted out? What could be the problem ? And how could you solve it ?? Please guess it. -- P.Blaha

[Wien] error in lapw2

2012-05-18 Thread ben amara imen
4 0 4 3 5 0 5 3 6 0 6 3 6 6 12.00 GMAX NOFILEFILE/NOFILE write recprlist -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120518/f4cdd629/attachment.htm

[Wien] Wienncm

2012-05-18 Thread Hena Das
Dear Prof. Peter Blaha, The current format of .machines file I am using is the following : 4:compute-3-2 4:compute-3-2 What is the correct format that I should use? Regards, Hena From: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at