[Wien] Help for the calculation of spin-orbital coupling
zhgh at theory.issp.ac.cn
zhgh at theory.issp.ac.cn
Thu Jan 8 02:37:57 CET 2004
Dear Wien Users,
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.
--
=====================================================
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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