PDOS in cp2k
Rizwan Nabi
rizwan... at gmail.com
Tue Jan 16 05:15:50 UTC 2018
Dear All,
I have got PDOS files from cp2k run and all the atoms are having individual
PDOS files and after smearing using scripts *(*pdos.py and
get-smearing-pdos.py) by Juan Garcia, smeared PDOS are obtained
individually. Now my question is that how can i get total PDOS (one PDOS
file showing all the atoms together as well as ALPHA + BETA together)
instead getting individually for each atom. Is there any way to do it? I am
attaching snapshot of the obtained PDOS files. It looks like something is
wrong, as it is not showing both ALPHA and BETA together. Please help me in
this regard.
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