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
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