[Wien] Help for the calculation of spin-orbital coupling

zhgh at theory.issp.ac.cn zhgh at theory.issp.ac.cn
Thu Jan 8 02:45:04 CET 2004



Dear Wien Users,
    Would you please solve this question ?
    After having finished the spin-polarized calculation,I run the
calculation of spin-orbital coupling.But the ghost band was generated.
Nother energy nor charge was convergent,namely,they were oscillatory. I
had tried to modified  parameters in case.inso and add local orbits ( d
 or f ) in case.in1,however,the result is till bad .
     Thank you for your help,anyway.

begards!
-- 
=====================================================
Mr. GuoHua Zhong
Address:
    Key Laboratory of Materials Physics,Institute
    of Solid State Physics, Chinese Academy of Sciences
    Hefei, Anhui P.O.Box 1129, 230031 P. R. China
Telephone:
    86-551-5591464 (Office)
    86-551-5592732 (Home)
E-Mail:
    zhgh at theory.issp.ac.cn


-- 
=====================================================
Mr. GuoHua Zhong
Address:
    Key Laboratory of Materials Physics,Institute
    of Solid State Physics, Chinese Academy of Sciences
    Hefei, Anhui P.O.Box 1129, 230031 P. R. China
Telephone:
    86-551-5591464 (Office)
    86-551-5592732 (Home)
E-Mail:
    zhgh at theory.issp.ac.cn


-- 
=====================================================
Mr. GuoHua Zhong
Address:
    Key Laboratory of Materials Physics,Institute
    of Solid State Physics, Chinese Academy of Sciences
    Hefei, Anhui P.O.Box 1129, 230031 P. R. China
Telephone:
    86-551-5591464 (Office)
    86-551-5592732 (Home)
E-Mail:
    zhgh at theory.issp.ac.cn






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