[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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