The message about reading the QTLs is not error, just an information. spaghetti dedected a case.qtl file (from your DOS calculation and noticed that it does not fit to the bandstructure mesh. Thus one cannot make "fat-bands".
To get rid of the message, either run also the x lapw2 -qtl -band switch, or remove and case.qtl. Am 26.04.2012 11:37, schrieb ben amara imen: > Hello! > I'm trying to determine the electronic structure of binary compound but > when I plot its DOS, the antisymmetric gap which is an intrinsic property of > each binary compound, have > not appeared in valence band. .However, when i plot the Band structure this > antisymmetric gap appear but xspagetti give this note: > > error reading QTLs (inconsistent qtl-file): > band: 20 k-point: 38 > execution continued without fat-bands ... > > I have tryed to correct the in1 file but the problem still ( the > antissymetric gap have not appeared) > > Can you help me and thanks in advance > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------