[QE-users] Regarrding fatband awk script in QE

[Guido Fratesi]

Dear Nitin,

one needs to refer to the atomic states (read from the pseudopotential) 
as listed in the heading of the output of projwfc.x

You can select a range to sum. From the example you quote, see the file: 
silicene.kpdos.out. There one sums states Including atomic states from 
1-4 (s,pz,px,py of Si atom#1):

      Calling projwave ....

      Atomic states used for projection
      (read from pseudopotential files):

      state #   1: atom   1 (Si ), wfc  1 (l=0 m= 1)
      state #   2: atom   1 (Si ), wfc  2 (l=1 m= 1)
      state #   3: atom   1 (Si ), wfc  2 (l=1 m= 2)
      state #   4: atom   1 (Si ), wfc  2 (l=1 m= 3)
      state #   5: atom   2 (Si ), wfc  1 (l=0 m= 1)
      state #   6: atom   2 (Si ), wfc  2 (l=1 m= 1)
      state #   7: atom   2 (Si ), wfc  2 (l=1 m= 2)
      state #   8: atom   2 (Si ), wfc  2 (l=1 m= 3)

HTH,

Guido

-- 
Guido Fratesi

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