[Phonopy-users] Non-analytical term correction question
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From: Kemal R. <kra...@gm...> - 2023-02-15 16:25:17
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Dear all, I have a really basic question regarding non-analytical term correction. I tried my best searching online, even asked ChatGPT for help, but I am still a bit confused. What structure do we use for this calculation, the unit cell, perfect supercell, or displaced supercells. I am planning on using VASP and instructions from ( https://phonopy.github.io/phonopy/vasp.html#vasp-interface). Thank you for any help provided in understanding this. Best, Kemal. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ |