Page 1 of 1
How can I extract data from the output files of VASP-6.3 (vasprun.xml)?
Posted: Tue Nov 01, 2022 3:52 am
by manoj_wijesingha
I need to extract data from vasprun.xml file to plot DOS or Band structure. So, I need to know that without using py4vasp what are the other possible methods or software to use to extract data from this output file. Thank you
Re: How can I extract data from the output files of VASP-6.3 (vasprun.xml)?
Posted: Wed Nov 02, 2022 8:38 am
by jonathan_lahnsteiner2
Dear manoj_wijesingha,
To extract data from the vasprun.xml file you could for example use p4vasp.
Another option would be to use vasprun
https://vasprun-xml.readthedocs.io/en/latest/index.html
And if you want to write your own python script you can install an xml reader as
https://docs.python.org/3/library/xml.e ... ttree.html
for your python package and extract the data yourself.
I hope this helps
All the best Jonathan