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I am currently using p4vasp for drawing DOS and band-structure plots, but it is not much handy in modifying the OUTPUTS. Could you please suggest any other good software or tools for that?

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Another option is Sumo, which is a Python toolkit for plotting and analysis of ab initio solid-state calculation data. It supports VASP, CASTEP and Questaal. Plotting is mostly done through a command-line interface. It can also generate the band paths in the first place. There is also support for plotting phonon bands generate with phononpy.

enter image description here

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    $\begingroup$ I have tried it now, and it is very awesome. Thank you very much ! $\endgroup$
    – Chi Kou
    Sep 11, 2020 at 18:45
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Here is an excellent answer by Andrew on pre/post processing tools available for VASP. I will introduce another tool I have used for plotting bandstructure and DOS.

PyProcar is an open-source Python library providing a set of functions that manage data from the PROCAR file obtained with VASP calculations. It supports VASP, Elk, Quantum ESPRESSO and ABINIT.

PyProcar is capable of performing

  • plotting plain and spin/atom/orbital projected band structures and Fermi surfaces- both in 2D and 3D
  • Fermi velocity plots
  • unfolding bands of a super cell
  • comparing band structures from multiple DFT calculations
  • plotting partial density of states
  • generating a k-path for a given crystal structure.

Here is a Bandstructure with DOS plot made using PyPROCAR enter image description here

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    $\begingroup$ Really nice code. I didn't know about it. Thanks for sharing. Curious -- does it support that color map natively or did you do that yourself? It's beautiful! $\endgroup$ Aug 14, 2020 at 15:10
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    $\begingroup$ The image is copied from pyProcar site itself! romerogroup.github.io/pyprocar/bandsdos.html $\endgroup$
    – Thomas
    Aug 14, 2020 at 15:12
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    $\begingroup$ @AndrewRosen I think that's the jet color map. To put it mildly it has some problems one should be aware of before using it. Since this is a Python library it's also worth consulting Matplotlib's Choosing Colormaps documentation for other choices. $\endgroup$
    – Anyon
    Aug 14, 2020 at 17:37
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    $\begingroup$ Yes it is jet, and I would not generally recommended it as a color map to use. But I was more impressed that it was easy to incorporate! A super simple one-liner to change to any color map. $\endgroup$ Aug 14, 2020 at 20:47
  • $\begingroup$ @AndrewRosen I think this pyprocar is best for dos but it is not good for band structure plot. Since it always give error and kills after running the program and author does not reply. I believe this is not good option $\endgroup$ May 15 at 12:43

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