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

[Jorissen Kevin]

Hello,
 
helping might be easier when more information is given ...
Modifying parameters and adding local orbitals might help ;-)
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: zhgh at theory.issp.ac.cn [mailto:zhgh at theory.issp.ac.cn] 
	Verzonden: di 1/6/2004 1:54 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] Help for the calculation of spin-orbital coupling
	
	


	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 and add local orbits ( d or f ),
	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
	
	
	
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