Dear Mayuri,

notice the option:   kresolveddos=.true.   in projwfc calculations.

Then, for example, the DOS files have an additional column with the k-point index:

# ik    E (eV)  ldosup(E)  ldosdw(E) pdosup(E)  pdosdw(E)
    1    4.247  0.000E+00  0.000E+00  0.000E+00  0.000E+00
    1    4.257  0.000E+00  0.000E+00  0.000E+00  0.000E+00

You *also* get Lowdin charges, but beware: these should be ignored if the k-points in the pw.x run do not integrate the BZ properly (as it occurs when plotting bands).

Best,

Guido

--
Guido Fratesi

Dipartimento di Fisica
Universita` degli Studi di Milano
Via Celoria 16, 20133 Milano, Italy

email: guido.frat...@fisica.unimi.it
web:   https://sites.google.com/site/guidofratesi/

_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

Reply via email to