Dear all,
I'm using WIEN2K (Spaghetti and Xcrysden) to simulate the band structures/fermi surfaces of a family of HC nanolamellar carbides. So far, I have had a good qualitative matching between my experiments and the band structures calculated with WIEN2K.
Now, I would like to have access to the weight of the orbitals involved in every bands crossing the Fermi level, for all the different k points of the first brillouin zone.
Where would I be able to have access to such datas? Within which output file? Best regards, Damir Pinek _______________________________________________ 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
