[QE-users] Hubbard+U+V and Error in routine offset_atom_wfc

Christoph Wolf wolf.christoph at qns.science
Wed May 25 14:15:48 CEST 2022


Dear Iurii,

Thank you for your swift response! I uploaded the files here. For V and O I
inserted main and secondary manifolds to the necessary files (tabdf.f90 in
PW/src, set_hubbard_l and n in Modules).


https://drive.google.com/drive/folders/1aewyPfVasZLdGGAmtWA5XP7tWyUChupv?usp=sharing

I set it to anyone with a link can access but sometimes it is glitching, so
let me know if it doesn't work!

Best,
Chris
--
IBS Center for Quantum Nanoscience
Seoul, South Korea
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