[Wien] spin-up or -down
XU ZUO
xzuo at nankai.edu.cn
Mon Apr 16 14:11:35 CEST 2007
Dear Colleagues,
I am calculating the ferrimagnetic ground stat of spinel ferrite using
WIEN2k_07.2. According to the user's guide, the initial spin configuration is
given by case.inst file. I modify the file and it works for the normal spinel
case. However, if I do the same modification for the inverse spinel, the local
magnetizations are still aligned ferromagnetically according to the case.scf file.
Any idea about this problem? Or is there any other way to control the spin
configuration in the input explicitly in the 07 version?
Best regards,
Xu Zuo
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