Hi I usually use the following setting for DOS calculations and the resulting DOS graphs are so smooth.
scf: occupation='smearing' smearing='gaussian' degauss=0.001 nscf: occupations='tetrahedra' &dos: DeltaE=0.1 but it seems that in the recent version of q/e the "smoothing" has been removed and using the following setting my PDOS graphs are not smooth anymore. &projwfc DeltaE=0.01 , ngauss=0 , degauss=0.001 when I set smoothing=0.3 as I did in the old versions of q/e the recent version ignores the smoothing procedure and does nothing to smooth the PDOS graph. I would appreciate if anyone helps me to make PDOS graphs as smooth as DOS ones. Many Thanks -- Sincerely Yours David G. JCU -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130426/b6555d08/attachment.html
