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upf-schema

This is an XML schema definition for the Unified Pseudopotential Format v2.0.1 of the Quantum Espresso suite as defined on the QE website and CECAM website

Pseudopotential files can be validated by any standard XML validator. Simply paste the content of the pseudopotential file and the schema upf.xsd on an online XML validator.

The schema contains the documentation provided by the format and a documentation of the format can be generated automatically from it via the standard UNIX tool xsltproc

bash generate.sh

For the layout of the documentation, I am currently using the xs3p stylesheet but in the future, it may be convenient to design our own.

Contents

  • C.pbe-hgh.UPF The PP against which I am checking the schema at the moment
  • upf.xsd The XML schema definition
  • generate.sh The script to generate the documentation using xsltproc
  • upf.html The documentation generated by ./generate.sh

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An XML schema definition for the Unified Pseudopotential Format of the Quantum Espresso suite

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