dimension

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source VASP outcar
id dimension
name Dimension of arrays section
pattern \s*Dimensionsofsarrays:.*
endPattern \s*
endPattern2 ~
xml:base incar/dimension.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>

Template definition.

<templateList>  <template id="atomtypes" pattern="\s*ions\sper\stype\s=.*" endPattern=".*" endPattern2="~">    <record makeArray="true">\s*ions\sper\stype\s={1_50I,cc:atomcount}</record>
        </template>

    </templateList>