[Wien] About min when including spin-orbit coupling
xianghjun
xhongjun at mail.ustc.edu.cn
Sun Feb 19 02:27:22 CET 2006
Dear all,
I want know the status of the implementation of the spin-orbit coupling,
since I learn from http://www.wien2k.at/reg_user/limitations/ that
"*In spin-orbit calculations forces are not yet implemented*".
However, when I using the min program with -so switch
to optimize the structure, I don't see any warning or error.
So, is the procedure to obtain the relaxed structure correct?
Thanks in advance.
Best regards,
Hongjun Xiang
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H. J. Xiang
Ph.D. Candidate,
Hefei National Laboratory for Physical Sciences at the Microscale,
University of Science and Technology of China,
Hefei, Anhui, 230026,
People's Republic of China
Tel.: 86-551-3606428
Fax.: 86-551-3602969
E-mail: xhongjun at mail.ustc.edu.cn
Http://www.bsc.ustc.edu.cn/~hjxiang
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