Dear Hao,
you need to convert the IFCs to quantum-espresso format if you want to
use them in QE. Some time ago I wrote a python script that can do this
conversion, it is part of the d3q code, but you can get it just the
script here:
<https://sourceforge.net/p/d3q/code/HEAD/tree/trunk/D3Q/tools/import_phonopy_qe.py>
PLEASE READ THE DOCUMENTATION AT THE BEGINNING OF THE FILE!
I find I. Errea, et al have calulated anharmonic Tc by QE in Phys. Rev.
Lett. 114, 157004 (2015). Is there some guidance on this issue?
As far as I know, Ion Errea used its own code implementing the
Self-Consistent Harmonic Approximation. I don't know if he read this
list, but for sure you can contact him directly.
kind regards
Thank you.
Hao Gao
Nanjing University
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Lorenzo Paulatto - Paris
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