[Wien] Many thanks!

Dear Prof. Marks, Many thanks! Best wishes, Bing x sttruct2cif On Sat, May 5, 2012 at 7:49 PM, Zhou Bing umbingz at isl.ac.cn wrote: Dear all, I finished the optimization and obtained the new optimized structure, how can I convert this structure to the corresponding CIF format?

[Wien] Error in Band gap calculation with mBJ

aborted unsuccessfully. Thank You so much for your previous guidance. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120506/3e52b096/attachment.htm

[Wien] Re : Commandline: x nn

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[Wien] Error in Band gap calculation with mBJ

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