Use my own pseudopotential

Posted In DFT (Quantum Espresso)
  • Sizhe Liu 10 months ago

    Hi there,

    I want to use pseudopotentials that are not available on materials square. I was wondering if I can upload the files somewhere and change the "pseudo_dir" on materials square?

  • Materials Square 10 months ago

    Hello, you can upload your pseudopotential file at the 'Potential' tab on the 'Account' page.

    Please refer to the following link.

    http://docs.materialssquare.com/v3_account_en/#section3

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