[Pw_forum] Hubbard_J for Zr

Jaret Qi jaretqi at yahoo.com
Mon Sep 21 08:50:34 CEST 2015


Dear QE users,For the first time; I'm trying to include lda+u for Zirconium. For this purpose I used Hubbard_U=4.0 eV but I do not know how much Hubbard_J should be? and what is the difference between Hubbard_J & Hubbard_J0?
Regards,Jaret
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