energy2

Table 575. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Partial implementation


Table attributesTable. Template attributes

AttributeValue
source VASP outcar
idenergy2
nameEnergy section 2
pattern\s*d\sForce\s=.*
endPattern\s*d\sForce.*d\sEwald.*
endOffset1
repeat*
xml:baseenergy2.xml


Input. 

	d Force = 0.6233654E-03[ 0.149E-02,-0.247E-03]  d Energy = 0.6368289E-03-0.135E-04
 	d Force = 0.2547416E-01[ 0.255E-01, 0.255E-01]  d Ewald  = 0.2547237E-01 0.178E-05	
	

Output text. 

<comment class="example.output" id="energy2">
		<module cmlx:lineCount="3" cmlx:templateRef="energy2">
			<scalar dataType="xsd:double" dictRef="cc:deltaEnergy" units="nonsi:electronvolt">0.0006368289</scalar>
		</module>
	</comment>