Dear developers,
I have come across the input parameter tr2_ph for ph.X (phonon
calculations). The docmentation states it is the 'threshold for
self-consistency'. I could not find an explanation the convergence of
which physical quantities are controlled by this parameter and which
equations describe it. I tried to look through the source code but it is
a bit puzzling for me how to connect it with the threshold of the
conjugate gradient method used to iteratively solve the DFPT equations.
any suggestions would be helpful.
Regards
Banhi
--
Dr. Banhi Chatterjee
Post-doctoral researcher
Jozef stefan Institute, Ljubljana, Slovenia
e-mail: [email protected]
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