Dear Gavin Sir and WIEN2k users, I have read the procedures by Gavin Avo and also WIEN2k/reg_users/textbooks for the NiO example for calculating the Ueff potential. The input files case.in1, case.in2, case.incup, case.incdn is being modified by hand for this particular example as I understand. I want to ask that is there any general logic or procedure to generate these modified input files so that I can apply them to other compounds.
Thanking You, Saurabh Samant Ph.D. candidate _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
