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Hubbard term calculations

Posted: Mon Sep 18, 2023 5:42 pm
by hamza_bouafia_LGP
Dear VASP users;
for the following link:
wiki/index.php/Calculate_U_for_LSDA%2BU
in incar, magomom has 20+16 atoms while in the poscar file there are only 32.
is this an error or are there other considerations?
Thank you

Re: Hubbard term calculations

Posted: Tue Sep 19, 2023 7:10 am
by merzuk.kaltak
Dear Hamza,

you are right, this is a typo. There should be 2 * 16 MAGMOM entries of course.
Thank you for reporting this. I have changed the tutorial page appropriately.