[Wien] error in wien13 mini/wrtscf.f

torsten weissbach torsten.weissbach at physik.tu-freiberg.de
Sun Jul 28 22:42:57 CEST 2013


Dear Prof. Marks,

I tried your patch but the problem showed up again. Then I found out  
that the source of the problem could be that I continued a min_lapw  
run that was started with Wien 12. The program seems to parse older  
case.scf_mini files where the lines starting with CTO have a different  
format: TOTAL  CHARGE instead only CHARGE. So maybe only the older  
case.mini_scf have to be deleted.

Best regards,
Torsten



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