[QE-users] Finite Size Corrections and Potential Alignment

[Nicola Marzari]

Sure - one example is here:
<https://iopscience.iop.org/article/10.1088/2516-1075/ace014>
Radware Bot Manager Captcha<https://iopscience.iop.org/article/10.1088/2516-1075/ace014>
iopscience.iop.org<https://iopscience.iop.org/article/10.1088/2516-1075/ace014>
        [favicon.ico] <https://iopscience.iop.org/article/10.1088/2516-1075/ace014>


Nicola


Sent from a tiny keyboard... Contact info:
http://theossrv1.epfl.ch/Main/Contact

On 6 Dec 2024, at 05:49, Dipta Suryya Mahanta via users <users at lists.quantum-espresso.org> wrote:


Dear All Users,
Hope this email finds you all well. Are there any codes or packages to calculate the Finite Size (or Image Charge) corrections and Potential Alignment corrections for supercells which support the Quantum Espresso package (or output files)? I am calculating the Defect Formation Energy for charged defects.

Kindly shed some light upon my enquiries. I am eagerly awaiting your kind response
--
Regards,
Dipta Mahanta

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