https://github.com/ltalirz/upf-schema
An XML schema definition for the Unified Pseudopotential Format of the Quantum Espresso suite
https://github.com/ltalirz/upf-schema
quantum-espresso-suite xsd
Last synced: 7 months ago
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An XML schema definition for the Unified Pseudopotential Format of the Quantum Espresso suite
- Host: GitHub
- URL: https://github.com/ltalirz/upf-schema
- Owner: ltalirz
- Created: 2013-11-10T20:47:59.000Z (almost 12 years ago)
- Default Branch: master
- Last Pushed: 2022-08-30T21:46:01.000Z (about 3 years ago)
- Last Synced: 2025-01-10T17:53:40.020Z (9 months ago)
- Topics: quantum-espresso-suite, xsd
- Language: XSLT
- Size: 805 KB
- Stars: 1
- Watchers: 3
- Forks: 3
- Open Issues: 2
-
Metadata Files:
- Readme: README.md
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README
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](http://pseudopotentials.quantum-espresso.org/home/unified-pseudopotential-format)
and [CECAM website](https://esl.cecam.org/data/upf/)
Pseudopotential files can be validated by any standard XML validator. Simply
paste the content of the pseudopotential file and the schema [upf.xsd](upf.xsd)
on an [online XML validator](http://www.freeformatter.com/xml-validator-xsd.html).
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
bash generate.sh
```
For the layout of the documentation, I am currently using the
[xs3p](http://sourceforge.net/projects/xs3p/) stylesheet but in the future, it
may be convenient to design our own.
Contents
--------
- [C.pbe-hgh.UPF](C.pbe-hgh.UPF) The PP against which I am checking the schema at the moment
- [upf.xsd](upf.xsd) The XML schema definition
- [generate.sh](generate.sh) The script to generate the documentation using xsltproc
- [upf.html](https://rawgit.com/ltalirz/upf-schema/master/upf.html) The documentation generated by ./generate.sh