Hubbard term calculations
Posted: Mon Sep 18, 2023 5:42 pm
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
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