[QE-users] Error regarding LDA+U+SOC calculation

SOUMYAKANTA PANDA sp57 at iitbbs.ac.in
Tue Dec 22 07:44:50 CET 2020


Dear Quantum espresso community

I found an error while doing scf with spin orbit coupling and Hubbard
interaction with LDA potential.
It shows - " forces in full LDA+U  scheme are not yet implemented".
I have added noncoline =.true. along with lspinorb =.true. and
lda_plus_u_kind =1. In my input file but getting error in the output file.

Kindly suggest me something to get rid of this kind of error.

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