[QE-users] Calculate el-ph interactions from external IFCs

[Lorenzo Paulatto]

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