[QE-users] Renormalized band energies from the postahc.x code
Lorenzo Paulatto
lorenzo.paulatto at cnrs.fr
Mon Apr 13 17:57:28 CEST 2026
> I am attempting to compare PbTe band structure at 0K and 300K using the postahc.x code. The code does print the renormalized self-energies (Example 19 in the PHONON package) but does it store the EPI-renormalized band energies anywhere?
I'm not familiar with this code, but it should be enough to add the
imaginary part of the self-energy (which is usually negative) to the
unperturbed phonon frequency to get the renormalized one.
hth
>
> Thanks,
> Vahid
>
> Vahid Askarpour
> Department of Physics and Atmospheric Science
> Dalhousie University
> Halifax, NS, CANADA
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Dr. Lorenzo Paulatto
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