[Wien] w2web, StructGen

2010-03-03 Thread Zhiyong Zhang
Dear All, I am trying to use w2web to generate structures for Bi2Se3. I chose the space group R-3m and entered the three non-equivalent atoms. However, the generated structure seem to be incorrect as only one of the three equivalent positions of Atom 3 are generated. Even if I use and upload

[Wien] tmp error

2010-03-03 Thread jaafar jalilian
hello I have an error when make an interface.this error is '' rm: can not remove : in.tmp ,no such file or directory please help me -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/2010

[Wien] Optic and local orbital

2010-03-03 Thread ali hamidani
atory at Guelma Faculty of Sciences and Engineering University of Guelma, P.O. Box 401, Guelma 24000, Algeria -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100303/981bf3ab/attachment.htm>