[QE-users] Regarrding fatband awk script in QE

Nitin Bijewar . nitin.bijewar at physics.mu.ac.in
Fri Dec 11 14:04:23 CET 2020


Dear all,
I have a doubt regarding the awk script written by Dr. Guido Fratesi in the
post-processing module of QE. Kindly refer

https://gitlab.com/QEF/q-e/-/blob/master/PP/examples/projected_bands_example/projwfc_to_bands.awk

I could not understand the options FIRSTSTATE and LASTSTATE in the
execution of the script

awk -v ef=[EF] -v firststate=[FIRSTSTATE] -v laststate=[LASTSTATE] -f
projwfc_to_bands.awk [PROJWFCOUTPUT]

Can you please help me to understand how should I put the options and How
can I put specific basis functions for projections? I am using
PAW-pseudopotentials for calculations.



Thanking you,
Nitin

-- 
Nitin Bijewar
Assistant Professor,
Department of Physics,
University of Mumbai,

http://mu.ac.in/portal/distance-open-learning/faculty/department-of-physics/
email: nitin8sp at gmail.com


*"Three things are necessary to make every man great, every nation great,*

*1. conviction of power of goodness*

*2.Absence of jealousy and suspicion*
*3. Helping those who try to be and do good".....Swami Vivekananda*
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