[QE-users] Error in ph.x
LEUNG Clarence
liangxy123 at hotmail.com
Mon Oct 12 18:50:04 CEST 2020
Dear QEuser,
Recently, I come across a problem in runing ph.x as follow:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine phq_readin (1):
The phonon code with LDA+U is not yet available
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
This is a system must include DFT+U method. If I do not use DFT+U in scf, it cannot converge even at 1000 steps.
It is very appricated that give me some advices.
Best regards,
Clarence
Postdoc
Department of Materials Science and Engineering
City Univeristy of Hong Kong
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