[Wien] Problem for convergence

zhgh at theory.issp.ac.cn zhgh at theory.issp.ac.cn
Tue Feb 17 01:40:32 CET 2004


Dear Wien Users,
    Would you please solve this question ?
    I was running spin-polarized calculation to Ni (a=b=c=14.0 Ang).
But the big system had the difficulty of converging.The charge distance
was oscillatory.Could you tell me how to do if I was need to be adjusted
some parameters.

     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







More information about the Wien mailing list