IBAND tag for spin-polarized calculation

To share experience including discussions about scientific questions.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
ritam_chakraborty
Newbie
Newbie
Posts: 6
Joined: Thu Dec 14, 2023 8:17 am

IBAND tag for spin-polarized calculation

#1 Post by ritam_chakraborty » Sat May 25, 2024 8:22 am

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

henrique_miranda
Global Moderator
Global Moderator
Posts: 483
Joined: Mon Nov 04, 2019 12:41 pm
Contact:

Re: IBAND tag for spin-polarized calculation

#2 Post by henrique_miranda » Mon May 27, 2024 12:23 pm

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.

ritam_chakraborty
Newbie
Newbie
Posts: 6
Joined: Thu Dec 14, 2023 8:17 am

Re: IBAND tag for spin-polarized calculation

#3 Post by ritam_chakraborty » Thu May 30, 2024 2:33 pm

Dear Henrique,

Thanks a lot for your reply. I got my answer in the note you mentioned.

Thanks again,
Ritam

Post Reply