vaspplotsuite 1.0.1

A program for analysis and plotting of electronic from VASP output data

VASP Plot Suite

(C) AG 2022

Vasp Plot Suite is a program for processing and plotting electronic structure data from VASP calculations output. It has two modules:

a) DosApp: for plotting electronic density of states (eDOS),
b) BandsApp: for plotting electronic band structure.

Instructions for each of module can be found in their respective README files.

After importing vaspplotsuite, just type vaspplotsuite.run() to run the program.

Executables

This program can be compliled into an executable. I can provide ones for Windows or MacOS upon request.

This program is still being tested

If you notice any errors or discrepancies, or if you have any practical suggestions, I would be grateful if you report them. I have also included sample data for AgF2 system if you want to give it a try.

Contact

[e-mail]

Update history

11.05.2022 - publication of version 1.0 Vasp Plot Suite as a whole
11.05.2022 - publication of functional BandsApp
10.05.2022 - incorporated matplotlib widget into the main window
05.05.2022 - refactored the application to read vasprun.xml
21.03.2022 - incorporated exception handling into vasp-dos-tools and refactored frontend to display them