Dear Dr. Gavin Abo,
Thanks for this information.
With regards,
Santu Baidya
On 25 May 2015 at 22:26, Gavin Abo gs...@crimson.ua.edu wrote:
EMCD calculations have been done using WIEN2k [1, 2].
[1] http://arxiv.org/abs/0704.1407v1
[2] http://www.chiraltem.physics.at/Workshop2_Rusz.pdf
Dear wien2k users,
During the optimization for PM, FM and AFM states, ground state
energy diffrences are too small. For PM and FM calculations, space
group and number of k points are the same. But for AFM states, space
group and number of k points are different. So, how can I find
Hello Abo Following your advise now I am doing my calculation correctly. Thank
you
Regards Tankhilaa
On Thursday, May 21, 2015 11:22 PM, Gavin Abo gs...@crimson.ua.edu wrote:
Yes, you can run x pairhess -copy in a terminal.
or
In w2web, you can click single prog. under
Dear Prof. Kervan,
the easiest thing to do is use the case.struct file you have for the AFM
calculation and initialize the calculation in a fresh directory with the
same parameters as for AFM calculation, only point all magnetic moments
in the same direction (for FM) or set them zero (for
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