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Only calculating the PDOS also doesn't actually show the Electronic Structure, since the _show_band_structure call is triggered only by the presence of the band_structure output:
Describe the bug
When you only calculate the PDOS for a structure, the report shows
None
for some of the chosen parameters.To Reproduce
Try to run a work chain that only calculates the PDOS
Expected behavior
The parameters should be properly extracted from the SCF of the
PdosWorkChain
, or we should rethink where these parameters are extracted from.Screenshots
Version (if known)
Latest
master
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