[Pw_forum] Fwd: bands calculation in QE

[Manjusha Chugh]

Please suggest something for the following.

--Manjusha
  Research Scholar
  IIT Kanpur, India



Dear QE users

I have a couple of doubts.
I want to calculate the band structure of a semiconductor, only in the
vicinity of the Fermi Level. Basically, I want to reduce the value of the
parameter 'nbnd'. I am interested to see the bands near the Fermi Energy,
not the complete band structure. Is there a way to do the same in QE?

Secondly, 'bands' calculation in QE generates a huge amount of data. (Yes,
I also have a fairly large system, but still the data stored in 'outdir' is
large.) Is there a way to reduce the storage need of data for 'bands' and
then bands.x calculations?

Thanks in advance.

Regards
Manjusha
Research Scholar
IIT Kanpur, India
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