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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 <[email protected]> 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 _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
