XML Schema definitions
Schema specifications are provided without warranty of any functionality. QSO adopts the model of the World-Wide-Web consortium http://www.w3c.org . A specification is first proposed as a Working Draft (WD) and progresses through the stages of Candidate Recommendation (CR), Proposed Recommendation (PR) and finally QSO Recommendation (REC).
Working Drafts
FPMD sample: an XML Schema specification of a sample used in a first-principles molecular dynamics simulation. This schema is currently used by the Qbox code.
FPMD species: an XML Schema specification of an atomic species used in a first-principles molecular dynamics, including the definition of a norm-conserving, non-local or semi-local pseudopotential.
FPMD function3d: an XML Schema specification of a function represented on a three-dimensional grid.
Schema definitions conform to the W3C Schema recommendation http://www.w3.org/TR/2004/REC-xmlschema-0-20041028
The schemas are described in the annotated_sample_schema.pdf, the annotated_species_schema.pdf and the annotated_function3d_schema.pdf documents.
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