[Wien] (no subject)

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Mon Nov 3 09:02:40 CET 2003


Could you explain, why you run this case with 32x6=196 k-points ?
Such large cells usually do NOT need many k-points.

I would start with ONE k-point ( or if you really have free cpu's with 3-6).
This should take 60-100 minutes instead of 2800.



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