[Wien] Problem with xcrystalden

2011-12-06 Thread bakhtiar ul Haq
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[Wien] Problem with xcrystalden

2011-12-06 Thread Gavin Abo
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[Wien] help me pl.

2011-12-06 Thread Ramkumar Thapa
help what may be problem. Thanking you, R.K.Thapa -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111206/d535ade1/attachment.htm

[Wien] Problem with xcrystalden

2011-12-06 Thread Gerhard Fecher
Did you run it in w2web from a different or even a non Linux computer ? In the second case this message will appear as e.g. Windows is not X-Windows. Did you try to run it as stand alone or only from w2web (after retsarting w2web) ? Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to

[Wien] QTL-related question - update

2011-12-06 Thread Peter Blaha
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[Wien] Orientation sensitive TELNES3 calculations

2011-12-06 Thread Y.Shinoda
Dear Dr. Che R. Seabourne Hello. I contacted Prof. Kevin Jorissen, who is the main developer of TELNES, with Prof. Peter Blaha's help. The Euler angles (0,0,0) of Orientation Sensitive means that the electron beam is parallel to the c-axis of the crystal. ORIENTATION SENSITIVE alpha beta gamma

[Wien] request

2011-12-06 Thread Ramkumar Thapa
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[Wien] request

2011-12-06 Thread Gerhard Fecher
please check the mailing list, just within the last few month there were many requests and answers about the same or nearly the same issue. By the way, I still use the 11.1.075 version of the Intel compiler that causes no troubles with Wien2k (as registered user one can download it still from

[Wien] request

2011-12-06 Thread Ramkumar Thapa
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[Wien] request

2011-12-06 Thread Gerhard Fecher
On all our Intel based systems (no experience with AMD) and different Linux systems (mostly SUSE but also other distributions), from laptops, desktops up to two different clusters (mixed dualcore and quadcore, and blade with quadcores), single processor to multiprocessor (with all 64emt