[QE-users] Finite Size Corrections and Potential Alignment
Dipta Suryya Mahanta
p22ph007 at nitm.ac.in
Fri Dec 6 05:47:43 CET 2024
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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