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Example of a DFT job #19

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gelzinyte opened this issue Jun 28, 2022 · 0 comments
Open

Example of a DFT job #19

gelzinyte opened this issue Jun 28, 2022 · 0 comments
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@gelzinyte
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So it doesn't involve worfklow; e.g. just os.system() call of CASTEP or ORCA, etc.
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