[Pw_forum] Fermi-surface plot

Paolo Giannozzi giannozz at democritos.it
Sat Feb 2 21:17:02 CET 2013


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.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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