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: [email protected] *"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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