esta.qeBag.sum_pdos_atom
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sum_pdos()
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I have s,p (also d, but not at the moment) PDOS calculated for several atoms. I want to have a sum for all atoms. Separately s and p.
for s we have
Energy, LDOS, PDOS columns
for p we have
Energy, LDOS, Pz-PDOS, Px-PDOS, Py-PDOS
TASK:
find sum for all atoms (= Energy, Sum of LDOS, Sum of Pz-PDOS, Sum of Px-PDOS, Sum of Py-PDOS).
NOTE: in a single directory keep on one type of states of atoms (may be same or different atoms); e.g. s, p, or d only for B atoms !!*
author: skumar date: 18, Feb, 2021
tested by Andrey Lyalin on Feb, 2021