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Anonymous

  • RE: Downloading .cif files through the Python API

    Mon, 11 Jan 2021 17:35:09 GMT – Downloading .cif files through the Python API
    • Sometimes, Pymatgen failed to read cif files directly downloaded from ICSD-Desktop paygoonline. The format of these cif files is slightly different from the standard one.

    • Pymatgen also failed to deal with cif files written by Abinit (prtcif=1). This cif file might not have the exact standard ICSD format.

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