[Wien] How to calculate magnetism?
钟国华
zhgh at theory.issp.ac.cn
Fri Nov 23 01:40:13 CET 2007
Dear all users,
I have some questions about magnetism calculation in WIEN2k. Would
you please help me ?
How to distinguish the paramagnetism (PM), ferromagnetism (FM) and
antiferromagnetism (AFM) of materials, besides the comparing the
their total energies?
If the calculated result shows that the system have magnetic moment,
must the material be FM? Do the material have the possibility of PM ?
Could we conclude the conclusion of PM for some materials by the
calculation with WIEN2k?
Thanks for any help!
--
=====================================================
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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