[DFTB-Plus-User] Regarding DOS and LDOS
u3129004 at edu.gifu-u.ac.jp
u3129004 at edu.gifu-u.ac.jp
Fri Jan 29 06:25:40 CET 2016
Dear DFTB+ user,
I calculated density of states(DOS) of the system, which consists of 31
atoms like following:
EnergyRange [eV] = -3.985 -3.985
EnergyStep [eV] = 0.001
LDOS={
ProjectionRange=1 31
}
In addition, I calculated the local density of states(LDOS) under the
same condition like following:
EnergyRange [eV] = -3.985 -3.985
EnergyStep [eV] = 0.001
LDOS={
ProjectionRange={1 1}
ProjectionRange={2 2}
ProjectionRange={3 3}
.
.
.
ProjectionRange={31 31}
}
However the sum of LDOS is not equal to the DOS. There is a little
diferrent. In this this difference is about 0.79. Please tell me the
reason.
Thank you very much in advance,
Kazuma
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