check the case.spaghetti_ene files, there you find band by band all kx, ky, kz, k, and E values of the k-path you defined for the calculation of the bands
Ciao Gerhard ________________________________________ Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Dima Vingurt [dimavingurt at gmail.com] Gesendet: Mittwoch, 30. Juli 2008 10:34 An: wien at zeus.theochem.tuwien.ac.at Betreff: [Wien] Extraction data from bandstructure Dear wien2k users, Can somebody explain how to find E(k) dependence, i.e. E for different k in, let say, (100) direction in BZ from the output of spaghetti. Thanks in advance. D.Vingurt.
