Dear all,
I calculated densities of states (DOS) for R3c BiFeO3. The results of
projwfc.x gives me the following data files: BFO.pdos_atm#1(Fe1)_wfc#1(s),
BFO.pdos_atm#1(Fe1)_wfc#2(p), BFO.pdos_atm#1(Fe1)_wfc#3(d),
BFO.pdos_atm#1(Fe1)_wfc#4(s), BFO.pdos_atm#1(Fe1)_wfc#5(p),
BFO.pdos_atm#2(Fe2)_wfc#1(s), BFO.pdos_atm#2(Fe2)_wfc#2(p),
BFO.pdos_atm#2(Fe2)_wfc#3(d), BFO.pdos_atm#2(Fe2)_wfc#4(s),
BFO.pdos_atm#2(Fe2)_wfc#5(p), BFO.pdos_atm#3(Bi)_wfc#1(s),
BFO.pdos_atm#3(Bi)_wfc#2(p), BFO.pdos_atm#3(Bi)_wfc#3(d),
BFO.pdos_atm#3(Bi)_wfc#4(f), BFO.pdos_atm#4(Bi)_wfc#1(s),
BFO.pdos_atm#4(Bi)_wfc#2(p), BFO.pdos_atm#4(Bi)_wfc#3(d),
BFO.pdos_atm#4(Bi)_wfc#4(f), BFO.pdos_atm#5(O)_wfc#1(s),
BFO.pdos_atm#5(O)_wfc#2(p), BFO.pdos_atm#6(O)_wfc#1(s),
BFO.pdos_atm#6(O)_wfc#2(p), BFO.pdos_atm#7(O)_wfc#1(s),
BFO.pdos_atm#7(O)_wfc#2(p), BFO.pdos_atm#8(O)_wfc#1(s),
BFO.pdos_atm#8(O)_wfc#2(p), BFO.pdos_atm#9(O)_wfc#1(s),
BFO.pdos_atm#9(O)_wfc#2(p), BFO.pdos_atm#10(O)_wfc#1(s),
BFO.pdos_atm#10(O)_wfc#2(p). But I do not know the meaning of the part ?wfc#*"
in the title of the file, for example, the part "wfc#1(s)" in the title of the
file BFO.pdos_atm#1(Fe1)_wfc#1(s). From the INPUT_PROJWFC.txt, I learned that
the number after "wfc#" is the wfc number, so what is the wfc number?
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