I am trying to understand the workflow of VASP, so I make a simple diagram to show how VASP updates the related file during iteration. Did I make it right?

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    $\begingroup$ Are you just interested in the files? I wouldn't have thought it would do so much file I/O per SCF iteration. I'm not a VASP expert, but the contents of the files looks about right. $\endgroup$ Commented Jan 10, 2022 at 22:57
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    $\begingroup$ It would help future searchability of the question if you summarize the flowchart using a numbered list/bullet points in the text of the post. This will also make it easier for users to answer the question (not a real example: "point 5 is correct, but you have misunderstood point 3"). $\endgroup$
    – Tyberius
    Commented Jan 12, 2022 at 18:22
  • $\begingroup$ This question has been closed as it seems to be abandoned. It can be reopened if someone wants to add an answer or the OP addresses questions/suggestions in the comments. $\endgroup$
    – Tyberius
    Commented Feb 24, 2022 at 14:24


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