Dear Lukasz, You simply have to do an scf calculation and after saving your converged calculation:
1/ change the emax (in rydberg) value in case.in1 file 2/ generate the kmesh you want for the band structure usign Xcrysden (and the wien interface) 3/ run something like: x lapw1 -band This step will generate the empty states you want up to emax 4/ follow the wien interface x lapw2 -qtl -band / x spaghetti Regards Xavier Lukasz Plucinski a ?crit : > Hello, > > I need to calculate band structure up to 20 eV above the Fermi edge. > > Could you please let me know which parameters in initialization, SFC, > and Bandstrucure should be increased to make this properly ? > > Regards, > Lukasz > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >