[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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