I am using VASP for the first time and do not know how to do convergence tests. How are convergence tests done in VASP and how do we get two plots of Encut and k-points with respect to total energy? I want to do these things for the $\ce{Mg2Si}$ material.

  • $\begingroup$ +1 and welcome to our new community! Thank you for contributing your question here, and we hope to see much more of you in the future!!! I've made some edits to you question though, please make note of them for next time. $\endgroup$ Commented Feb 12, 2021 at 23:47
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    $\begingroup$ This has already been answered on this network in multiple questions. For a start, this should help: mattermodeling.stackexchange.com/questions/1896/… $\endgroup$
    – Xivi76
    Commented Feb 12, 2021 at 23:59
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    Commented Feb 15, 2021 at 17:26

1 Answer 1


You can find @Andrew Rosen's nice answer from this post:k-points and ENCUT convergence tests before or after relaxation?, as @Xixi76 suggested.

Besides, you can read this nice tutorial: https://dannyvanpoucke.be/vasp-tutor-convergence-testing-en/

It should be emphasized that the convergence test is one of the most important steps to obtain physical results.


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