Pseudopotentials I/O

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  • Unified Pseudopotential Format (UPF)
  • Abinit format 1
  • Abinit format 2
  • Abinit format 3
  • Abinit format 4
  • Abinit format 5
  • Abinit format 6
  • FHI98PP
  • PSF
  • PSML
  • PAW-XML
  • |

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  • Libpspio
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    Links to other ESL entries

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  • Unified Pseudopotential Format (UPF)
  • Abinit format 1
  • Abinit format 2
  • Abinit format 3
  • Abinit format 4
  • Abinit format 5
  • Abinit format 6
  • FHI98PP
  • PSF
  • PSML
  • PAW-XML
  • |

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  • Libpspio
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    Pseudopotentials are usually shared using a text file, which requires input and output operations. The output operation is usually done by the atomic code that generates the pseudopotentials, while the input operation is usually done by the code that uses the pseudopotential. Several different file formats exist to store pseudopotential data, and most codes implement I/O routines for only a few of them.