vcw

Table 557. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Partial implementation


Table attributesTable. Template attributes

AttributeValue
source VASP outcar
idvcw
pattern\s*Atomic\sWigner-Seitz\sradii.*
endPattern\s*
endPattern2~
repeat*
xml:basevcw.xml


Input. 

  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00 -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00  1.00
   NELECT =     310.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down
	
	

Input. 

  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00
   NELECT =      38.0000    total number of electrons
   NUPDOWN=       0.0000    fix difference up-down
	
	

Output text. 

<comment class="example.output" id="vcw">
		<module cmlx:templateRef="vcw">
		   	<module cmlx:templateRef="nelect">
		      <list cmlx:templateRef="missingID">
		        <scalar dataType="xsd:double" dictRef="v:nelect">310.0000</scalar>
		      </list>
		      <list cmlx:templateRef="missingID">
              	<scalar dataType="xsd:double" dictRef="v:nupdown">-1.0000</scalar>
              </list>
			</module>
		</module>
	</comment>

Output text. 

<comment class="example.output" id="vcw2">
		<module cmlx:templateRef="vcw">
			<module cmlx:templateRef="nelect">
				<list cmlx:templateRef="missingID">
					<scalar dataType="xsd:double" dictRef="v:nelect">38.0000</scalar>
				</list>
				<list cmlx:templateRef="missingID">
					<scalar dataType="xsd:double" dictRef="v:nupdown">0.0000</scalar>
				</list>
			</module>
		</module>
	</comment>