I'm currently working with VASP and need recommendations for the best tools to effectively plot band structures and density of states obtained from VASP calculations. Could you please share your insights and suggestions on the most reliable and user-friendly tools for this purpose?
Thank you in advance for your help!
It has been suggested before here on MMSE. For VASP calculation, sumo can be used to easily plot both the density of states and the band structure. Here is the main website and here is the GitHub repository. To install the tool:
git clone https://github.com/smtg-bham/sumo.git cd sumo pip install --user -e . Then go to the folder where you did your calculation. The folder should contain vasprun.xml or vasprun.xml.gz file. Then run the following commands depending on what you want:
sumo-dosplot sumo-bandplot It will generate nice looking plots. If you want further customization, follow the documentation of sumo-dosplot and sumo-bandplot. Also, sumo can generate projected dos plot, side-by-side band structure and dos plot, etc. An example of such a plot from their gallery is attached below:
You could use gnuplot. There is a lot of documentation online and is covered in this answer: mattermodeling.stackexchange.com/q/4753/8414
