HUBBARD {ortho-atomic}
U Sn-2p 0.5
I guess you should target 5p orbitals, not 2p. Nomenclature can vary
between files (and different codes used to generate them), but you can
always check in the UPF files what the valence orbitals have been called.
hth
Regards
Priyanka
Dear Quantum espresso users
I am using Quantum espresso version 7.2 installed with libxc. I am running
scf calculation with Hubbard and getting the error
"from determine_hubbard_occ : error # 1
Mismatch between the requested and available manifolds"
My input file is:
calculation =
