Dear QE users,
I tried several dos/pdos calculations with different parameters listed in
the table below. The results are a little different.
I am not sure which result is more reliable when the experimental results
are not available.
scf
nscf
1. dos/pdos smearing (mv,degauss=0.01) tetrahedra
2. dos/pdos smearing (mv,degauss=0.01) smearing
(mv,degauss=0.01)
3. dos tetrahedra
tetrahedra
pdos smearing (mv,degauss=0.01) smearing
(mv,degauss=0.01)
--
Best Regards.
Peng
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