[Wien] a question seems strange

yxl@email.jlu.edu.cn yxl at email.jlu.edu.cn
Tue May 22 04:41:17 CEST 2007


Dear usrs,
       I encountered a question seems strange: there is a Co(Ar3d74s2) atom in my struct file,in case.inst and case.in1 files there is no orbitals l=3, but after some interations,
error appears: QTL-B VALUE .EQ.    7.05977   in Band of energy   -7.29010   ATOM=   22   L=  3        (ATOM22 is Co) 
       So how to account for this error, any suggestions will be appreciated.
yours sincerely,
hongxia 


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