[Pw_forum] atomic projected DOS
chenhanghuipwscf at gmail.com
Thu Feb 21 23:55:21 CET 2008
Dear PWSCF users,
I have two questions about atomic projected DOS. In the subroutine
projwfc.f90 there is a comment: "PDOS_m(E) = projected DOS on atomic wfc
with component m". Is this "m" the quantum number of z-component of angular
moment L? If it is, this 'm' is labeled from 1 to 2*L-1 instead of the
standard '"-L, -L+1...L-1, L". Is there a one-to-one correspondence?
Furthermore, what is the difference bwtween if "lsym" is set to .true.
and .false.? I found that the coefficients in the output files are
completely different? What does it really mean by 'symmetrize projection'?
Thank you very much.
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