Would you mind looking into the case.outputq file ! (where else would one look).
Am 08.11.2011 11:11, schrieb Yundi Quan: > Hi, > When calculating partial DOS, I choose new z and x axis. However, my new axis > are not quite perpendicular to each other. I got a warning saying that small > non-orthogonality > is corrected. Where can I find the corrected axis? Thanks a lot. > > Best > Yundi > > > _______________________________________________ > 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 Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pblaha at theochem.tuwien.ac.at -----------------------------------------
