[QE-developers] DFT+U with 'pseudo' option

Paolo Giannozzi paolo.giannozzi at uniud.it
Thu Sep 11 21:53:07 CEST 2025


Has anybody ever used the 'pseudo' potion for DFT+U? As reported here: 
https://gitlab.com/QEF/q-e/-/issues/815 , it does not seem to work, at 
least not in a straightforward way

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216



More information about the developers mailing list