Template to create Wien2k struct file from exciting input.xml.
The wien struct files includes information that on the exciting side is rather held in the species files than in the input file such as Muffin thin radii atomic number or chemical symbol. the template can read this information from the species files if you give the species directory as path option:
xsltproc --path "../../species/" exciting3wienstruct.xsl input.xml
In case of you want to override @rmt @ChemicalSymbol and @atomicNumber from within the input.xml file the defined attributes of the species element will be used instead of the definitions in the speciesfile.
If no species file present:
- R0 and and NPT are set to default values
- @rmt @ChemicalSymbol and @atomicNumber are taken from species element or NaN