IBAND tag for spin-polarized calculation
Posted: 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
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