Jie Deng

Jie Deng

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Future Blog Post

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This post will show up by default. To disable scheduling of future posts, edit config.yml and set future: false.

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Pymatgen POTCAR set-up

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Pymatgen POTCAR files set-up requires two step: pmg config -p dir1 dir2 and pmg config -add dir2. One more caveat: dir1 must end as POT_GGA_PAW_PBE.