[QE-users] Re2: sumpdos.x error when summing projwfc.x output files with spin orbit coupling

[Lucas Nicolás Lodeiro Moraga]

Hi,
It seems to be the same problem that I had to face months ago.
I ran SOC-GGA calculations, and project without problem, but sumpdos
crashed out. I was working with version 6.1. I read the .f90 files of
projwfc and sumpdos programs, and I found a little I/O "error" in projwfc
for SOC case. The first row printed in output files is: E (eV) ....
But for SOC cases prints: E(eV) ...
Without spacing between E and (eV), this was the format (fmf) reading error
in the first line.

You can change the I/O setup in projwfc.f90 and recompile, or use the
terminal option, to fix the output data:
sed -i -e 's/E(eV)/E (eV)/g' pdos.files

With this fix, the sumpdos program works fine to me...  It is a
litle-big headache,
I spent 2 weeks trying to find a solution.
I hope this solve your problem.

Regards - Lucas Lodeiro
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