[Wien] Ghostbands for L=3

Lijun Zhang ljzhang at ornl.gov
Sat Sep 6 00:09:32 CEST 2008


Dear Blaha,

Thank you very much for your incisive comment. However, I have fixed that negligence and the problem still isn't solved. The runafm_lapw stopped again just after the first lapw1 with "QTL-B VALUE .EQ.  145.71811   in Band of energy   -3.24037   ATOM=    2   L=  3".

With my best regards,
Lijun Zhang
-----------------------------------------------------------
Postdoctoral Fellow
Materials Theory Group
Materials Science & Technology Division
Oak Ridge National Laboratory
Phone: (865) 576-8675
Fax: (865) 574-7659
Email: ljzhang at ornl.gov
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