[QE-users] PW code crashes for negative value

Mpayami mpayami at aeoi.org.ir
Fri Mar 24 21:07:26 CET 2023


Dead Qe Developers,

Hi.
Kindly, in the course of scf cycle for finding the Hubbard parameters, I noticed that the PW code hangs/crashes for negative intersite Hubbard_V values.
I am using QE-7.1 Development.
Is there any simple workaround?
Thanks in advance.

Best regards,


Mahmoud Payami
NSTRI, AEOI
Tehran, Iran
Email: mpayami at aeoi.org.ir
Phone: +98(0)2182066504
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