Update to the latest WIEN2k version. There is a program "qtl", which lets you define the coordinate system as you like.
Am 28.10.2010 18:38, schrieb santu baidya: > Dear all, > I am doing SO calculation using wien2k package of > version 2007 for a compound which is distorted. I want to plot m > projected density of states for atoms. But for this I have to set local > coordinates for the atoms. According to user guide of wien2k the local > rotations are automatically given in case.struct_st file. But I am > finding the all unit matrices in the file. So could you please suggest > me anything so that I can find out m projected density of states with > local coordinates. Thanking you. > > Santu Baidya > > SNBNCBS, JRF > > kolkata > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Peter Blaha Inst.Materials Chemistry TU Vienna Getreidemarkt 9 A-1060 Vienna Austria +43-1-5880115671
