Input View

The input file can be opened in the web browser when the right xslt template is associated with it.

The browser shows a jmol view of your structure and all the used input elements with links to their documentation.

header for this to work:

<?xml version="1.0" encoding="UTF-8"?>
<?xml-stylesheet href="inputtohtml.xsl" type="text/xsl"?>
 
<input xsi:noNamespaceSchemaLocation="excitinginput.xsd" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsltpath="../../../xml/" scratchpath="/tmp/chm/1">
<title></title>
<structure speciespath="../../species/" autormt="true" primcell="true">
<crystal>
<basevect>9.99476  0.00000  0.00000</basevect>
<basevect>  0.00000  9.99476  0.00000</basevect>
<basevect>  0.00000  0.00000  19.6966</basevect>
</crystal>
<species speciesfile="Cu.xml">
<atom coord="0.0000  0.0000  0.0000" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.0000  0.5000  0.2500" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.5000  0.0000  0.7500" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.5000  0.5000  0.5000" bfcmt="0.0000  0.0000  0.0000"></atom>
</species>
<species speciesfile="Fe.xml">
<atom coord="0.0000  0.0000  0.5000" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.0000  0.5000  0.7500" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.5000  0.0000  0.2500" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.5000  0.5000  0.0000" bfcmt="0.0000  0.0000  0.0000"></atom>
</species>
<species speciesfile="S.xml">
<atom coord="0.2574  0.2500  0.1250" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.7426  0.7500  0.1250" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.2500  0.7426  0.8750" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.7500  0.2574  0.8750" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.7574  0.7500  0.6250" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.2426  0.2500  0.6250" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.7500  0.2426  0.3750" bfcmt="0.0000  0.0000  0.0000"></atom>
<atom coord="0.2500  0.7574  0.3750" bfcmt="0.0000  0.0000  0.0000"></atom>
</species>
</structure>
<groundstate solver="Arpack" fromscratch="true" ngridk="2  2  2"></groundstate>
<properties></properties>
</input>

Remark: In order for the structure display to work right one has to use the "chemicalSymbol" attribute in the species elements.

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