Dear VASP users,
I am trying to plot partial charge density of a band with the IBAND tag. In the KPUSE tag the k-point number that I need to specify will be same for both up and down spin components. I would like to know how to specify the band number (IBAND) for up and down spin components separately while calculating the partial charge density in a spin-polarized calculation.
Thanks, and best regards,
Ritam
IBAND tag for spin-polarized calculation
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Re: IBAND tag for spin-polarized calculation
Perhaps this small note in our wiki directly answers your question:
https://www.vasp.at/wiki/index.php/Band ... tput_files
If not then perhaps I can help.
https://www.vasp.at/wiki/index.php/Band ... tput_files
If not then perhaps I can help.
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- Newbie
- Posts: 6
- Joined: Thu Dec 14, 2023 8:17 am
Re: IBAND tag for spin-polarized calculation
Dear Henrique,
Thanks a lot for your reply. I got my answer in the note you mentioned.
Thanks again,
Ritam
Thanks a lot for your reply. I got my answer in the note you mentioned.
Thanks again,
Ritam