ABINIT Discussion Forums

Hello Dear ABINIT users,
How can I determine the orbital distribution (s, p, d,..orbitals) on the electronic energy band structure for a compound?
Thanks
aria

https://docs.abinit.org/variables/gstate/#natsph

See also prtdos 3 (https://docs.abinit.org/variables/files/#prtdos)
and the AbiPy post-processing tools

https://abinit.github.io/abipy/gallery/ ... bands.html

https://nbviewer.jupyter.org/github/abi ... ands.ipynb

Hi Dear. Gmatteo,

Thank you for your help and really appreciated.
I still could not use your help because I am a beginner.
Best wishes.
Elia