dimension
Type |
Status |
|---|---|
CML extraction template |
|
HTML5 representation |
|
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
1<comment class="example.output" id="dimension">
2 <module cmlx:templateRef="dimension">
3 <module cmlx:templateRef="atomtypes">
4 <list cmlx:templateRef="missingID">
5 <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">12 24 3 10</array>
6 </list>
7 </module>
8 </module>
9 </comment>
Template definition
1<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>
2 </template>
3
4 </templateList>