dimension ​
Implementation level ​
Type | Status |
---|---|
CML extraction template | |
HTML5 representation |
Template attributes ​
Attribute | Value |
---|---|
source | VASP outcar |
id | dimension |
name | Dimension of arrays section |
pattern | \s*Dimension\sof\sarrays:.* |
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 ​
xml
<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 ​
xml
<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>