[Wien] band structure_error in LAPW1

venkatesh chandragiri venkyphysicsiitm at gmail.com
Fri Jul 12 08:34:23 CEST 2013


Dear Prof. Blaha and Marks,

Thanks for your kindly reply. Yes, as you said the 2x2x2 super cell
containing 32 atoms takes time as n^3. After, "x lapw1 -band -c -up" was
over, the error file "uplapw1.error" goes empty automatically.

regards,
venkatesh.
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