[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