[Wien] Run AFM as LSDA+U

[Yurko Natanzon]

I haven't run any AFM calculations, but for LDA+U you need both
case.inorb and case.indm files (the same orbitals should be chosen in
both files). So, either copy .indm (or .indmc) file from Src_templates
and setup for your needs. Or you can do it via w2web. When you select
LDA+U tick in the calculation run in w2web, this file will be copied
automatically and you'll have to edit it.

regards,
Yurko

2008/10/13 Mojtaba Zareii <smojtaba.zareii at gmail.com>:
> Hi
> I had execute Run FM as LSDA+U successfully, but I am going to execute Run
> AFM for my samples via LSDA+U. Therefore i edited  "case.inst" for my sample
> as you have mentioned in  the following section :
> " Setup of antiferromagnetic calculations?". then my execute following
> command in Terminal:
> runsp_lapw  -orb  -cc 0.001 -NI
> But i encountered with error:
> " file "case.indmc" not found
>
> can you help me?
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>



-- 
Yurko (aka Yuriy, Iurii, Jurij etc) Natanzon
PhD Student
Henryk Niewodniczan`ski Institute of Nuclear Physics
Polish Academy of Sciences
ul. Radzikowskiego 152,
31-342 Krako`w, Poland
Email: Yurii.Natanzon at ifj.edu.pl, yurko.natanzon at gmail.com