projection weight

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projection weight

Postby sitangshu » Fri Oct 12, 2018 11:47 am

Dear Sir,

I am little weak in matplotlib.
I obtained the gs pwscf orbital projections using the script along the BZ path. The plot is providing what is expected. However, I am not able to edit the followings within the matplotlib:

1) The zero level is not coming to be the top of valance band. I know the Fermi level. What and how I should write in order to align the valance band top to the zero level?
2) Instead of "dots" "cmap = rdbu" I want to show these as lines. I tried, but I could not get the clue how to add a colormap legend in the side of the plot.
3) How should I import the data in the gnuplot format. I can then re-do the whole editing.

Please let me know.
Thanks and regards,
Sitangshu
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/
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Re: projection weight

Postby amolina » Mon Oct 15, 2018 8:45 am

Dear Sitangshu,

If you have already expertise in gnuplot, I suggest you print the data in gnuplot format. In QE, you can write the data in gnuplot format, using the program bands.x (distributed with QE, https://www.quantum-espresso.org/Doc/INPUT_BANDS.html).

Cheers,

Alejandro.

PS: your questions 1) and 2) will be possibly implemented in the future.
Alejandro Molina-S√°nchez
Physics and Materials Research Unit
Campus Limpertsberg
Université du Luxembourg
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