zeropoint

ADF log

Table 73. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Total implementation


Table attributesTable. Template attributes

AttributeValue
source ADF log
idzeropoint
nameZero-point energy
pattern\s*Zero-Point\sEnergy.*
endPattern\s*
endOffset0
repeat*
xml:basezeropoint.xml


Input. 

 Zero-Point Energy :      0.500175 a.u.
 ===================     13.610451 eV
 (imaginary frequencies were excluded from the summation) 
	

Output text. 

<comment class="example.output" id="zeropoint"> 
		<module cmlx:lineCount="3" cmlx:templateRef="zeropoint">
			<scalar dataType="xsd:double" dictRef="cc:zeropoint" units="nonsi:electronvolt">13.610451</scalar> 
		</module>
	</comment>