dimension

VASP outcar

Table 543. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Partial implementation


Table attributesTable. Template attributes

AttributeValue
source VASP outcar
iddimension
nameDimension of arrays section
pattern\s*Dimension\sof\sarrays:.*
endPattern\s*
endPattern2~
xml:basedimension.xml


Input. 

 Dimension of arrays:
   k-points           NKPTS =      5   k-points in BZ     NKDIM =      5   number of bands    NBANDS=    192
   number of dos      NEDOS =    301   number of ions     NIONS =     49
   non local maximal  LDIM  =      8   non local SUM 2l+1 LMDIM =     32
   total plane-waves  NPLWV = 290304
   max r-space proj   IRMAX =   3928   max aug-charges    IRDMAX=  12951
   dimension x,y,z NGX =    48 NGY =   48 NGZ =  126
   dimension x,y,z NGXF=    96 NGYF=   96 NGZF=  252
   support grid    NGXF=    96 NGYF=   96 NGZF=  252
   ions per type =              12  24   3  10

	

Output text. 

<comment class="example.output" id="dimension">
		<module cmlx:templateRef="dimension">
			<module cmlx:templateRef="atomtypes">
				<list cmlx:templateRef="missingID">
					<array dataType="xsd:integer" dictRef="cc:atomcount" size="4">12 24 3 10</array>
				</list>
			</module>
		</module>	
	</comment>