[Wien] How to make Root3xRoot3 supercell

2012-06-30 Thread David Tompsett
> Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > ------ next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120630/b6ce3125/attachment.htm>

[Wien] How to make Root3xRoot3 supercell

2012-06-30 Thread Peter Blaha
The "structeditor" utility in wien2k (but it requires the installation of "octave". Am 29.06.2012 22:41, schrieb H M Sohail: > Simple Question: > > How to make Root3xRoot3 supercell, since it only excepts integers.. > > Ge(111)1x1 to Ge(111)R3xR3 is required.. > > Help is required.. > > Regards >

[Wien] Error in x irrep

2012-06-30 Thread Jameson Maibam
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