dipole

VASP outcar

Table 555. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Partial implementation


Table attributesTable. Template attributes

AttributeValue
source VASP outcar
iddipole
nameDipole corrections
pattern\s*Dipole\scorrections.*
endPattern\s*
repeat*
xml:basedipole.xml


Input. 

 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      T    correct potential (dipole corrections)
   IDIPOL =      3    1-x, 2-y, 3-z, 4-all directions 
   EPSILON=  1.0000000 bulk dielectric constant
	
	

Output text. 

<comment class="example.output" id="dipole">
		<module cmlx:templateRef="dipole">
			<module>
				<list cmlx:templateRef="missingID">
					<scalar dataType="xsd:string" dictRef="v:ldipol">T</scalar>
				</list>
			</module>
			<module>
				<list cmlx:templateRef="missingID">
					<scalar dataType="xsd:integer" dictRef="v:idipol">3</scalar>
				</list>
			</module>
		</module>
	</comment>