[Wien] optimize and mini.
钟国华
zhgh at theory.issp.ac.cn
Wed Jul 26 03:00:27 CEST 2006
Dear all,
In WIEN2k, can the optimize(V,c/a) and mini. positions of crystal
lattice be simultaneously performed? Would you please tell me this?
Thank you very much for any help!
Best Wishes!
sincerely yours,
Zhong
--
=====================================================
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)
E-Mail:
zhgh at theory.issp.ac.cn
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