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General Questions and Answers / What does the index i or j in Eq. of local density of states (LDOS) stand for?
« on: June 6, 2016, 10:36 »
What is the mean of the i,j index in local density of states (LDOS):
from the notes in the end of this page:
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.localdevicedensityofstates.html
Are these LCAO basis index? Why is LDOS defined as this?
Moreover, the
are both complex, but DOS should be real. What is wrong here?
And more, the LCAO is a kind of non-orthogonalization basis, there may have some overlaps bettween
and 
. Does the overlaps are removed?
Or any reference on LDOS ?
from the notes in the end of this page:
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.localdevicedensityofstates.html
Are these LCAO basis index? Why is LDOS defined as this?
Moreover, the
And more, the LCAO is a kind of non-orthogonalization basis, there may have some overlaps bettween
Or any reference on LDOS ?