[Wien] Band structure calculation

Santanu Pathak santanupathak21 at gmail.com
Mon Dec 9 15:03:05 CET 2019


  In an calculation with PBE xc, energy values are coming without any
warning and the error files are generating but are completely empty.
Whereas band structure calculation is being interrupted due to lapw1 error,
shown in follow.

LAPW1 - Error
0.140u 0.015s 0:00.15 100.0%	0+0k 0+5136io 0pf+0w


1. Why these empty error files are generated at all?
2. How can band structure be calculated in this case?

Thank you.

*Best Regards,*
*Santanu *

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12/09/19,
07:31:51 PM
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