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? > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- 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