energy

Table 573. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Total implementation


Table attributesTable. Template attributes

AttributeValue
source VASP outcar
idenergy
nameEnergy section
pattern\s*FREE\sENERGIE\sOF\sTHE\sION-ELECTRON\sSYSTEM\s\(eV\).*
endPattern\s*energy\s*without\sentropy.*
endOffset1
repeat*
xml:baseenergy.xml


Input. 

  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -566.22302844 eV

  energy  without entropy=     -566.22206374  energy(sigma->0) =     -566.22254609				
	

Output text. 

<comment class="example.output" id="energy">
		<module cmlx:templateRef="energies">
			<scalar dataType="xsd:double" dictRef="cc:freeEnergy" units="nonsi:electronvolt">-566.22302844</scalar>
			<scalar dataType="xsd:double" dictRef="v:noEntropyEnergy" units="nonsi:electronvolt">-566.22206374</scalar>
			<scalar dataType="xsd:double" dictRef="cc:e0" units="nonsi:electronvolt">-566.22254609</scalar>
		</module>
	</comment>