[Wien] Error in Hub-U calculation

shaymlal dayananda kcsdayananda at yahoo.com
Tue Jun 26 21:29:38 CEST 2018


Dear Prof. Blaha

Thank you for your reply, I tried your instructions, but I am afraid that I am 
still getting the same error.
This is what I did1. I copied case.energyup/dn as case.energyup_1/dn_12 copied 
case.dmatup_old and case.dmatup_old to case.dmatup and case.dmatup3. removed  
*.bro*  ( But there were no files)
And rerun the job script. But again I got the same error I got before. I 
noticed that now the energyup_1 file is empty again and case.enegydn_1 is 
missing. I repeated this in fresh directory, but nothing changes. My lapw with spin 
polarization runs without any problem. Only this hubard U inclusion gives 
troubles. Can this be an issue with my job script (attached in the previous 
reply) or installation?

Thank you and I appreciate your valuable advice and support.I am re-sending this mail since I didn't get any reply yet. My apology about that. 
Daya
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