I use projwfc.x

https://www.quantum-espresso.org/Doc/INPUT_PROJWFC.html

with the input file given here. Then I plot in origin using XYY symbol plot. (k-E-pdos)

Thank you very much for your response. I will try to incorporate your suggestions. Thanks once again.

You can use of quantum espresso/pp/example 05

and DFTtoolbox package that is link with quantum espresso

Thanks Eleni Chatzikyriakou

Eleni Chatzikyriakou , I am feeling difficulty in understanding how to mark the Gamma-M-K-Gamma points when the number of k points in the index of kresolveddos output file is 290.

Also I am unable to write the gnuplot code to represent the data.

Can you please help.

Dear Nafiseh Falsafi

I tried the pp/example05. I am not able to find the "prefix.proj" file. It is required by the plotband.x as I understand from line 101 of the plotband.f90.

Can you (any one) help me on how to find the "prefix.proj" file?

Thank you in advance

Hi Endale Abebe Gudeta ,

for calculating projected band structure go to this link:

https://gitlab.com/QEF/q-e/-/tree/develop/PP/examples/projected-bands-example

This example shows how to produce 'fat bands' using three different ways. The number three is:

Directly processing the standard output of projwfc.x: require the script: projwfc_to_bands.awk, in this same directory. Example Silicene

for this do this steps:

1- Running the scf calculation (pw.x)

2- Running-band structure calculation (pw.x)

3- Doing the K-resolved PDOS calculation with kpdos.in (projwfc.x)

4- Extract the projected bands from the stdout of projwfc.x# Including atomic states from 1-4 (s,pz,px,py of Si atom#1) with this lines:

awk -v firststate=1 -v laststate=4 -v ef=-1.3230 -f ../projwfc_to_bands.awk silicene.kpdos.out > silicene.projbands

this means that states 1 to 4 are written to file silicene.projbands and you can draw it with gnuplot.

5-gnuplot silicene.gnuplot

silicene.gnuplot is a script that draw the silicene.projbands

I hope this help,

Falsafi

awk -v firststate=1 -v laststate=4 -v ef=-1.3230 -f ../projwfc_to_bands.awk silicene.kpdos.out > silicene.projbands

this is not working!!!!!! help

This is the exact command, you can chk where is your projwfc_to_bands.awk file, give path accordingly or maybe you are doing some spacing issue while writing this command.