On Feb 1, 2013, at 13:53 , Y. L. Li wrote: > Now I want to know if there is a way to only print k point's > band energy in nscf file?
not with input variables, but this may be easily modified: see PW/src/print_ks_energies.f90 . Anyway, the ultimate solution is to read Kohn-Sham energies from the data file, not from the output P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
