startparameters

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

VASP outcar

id

startparameters

name

Startparameter for this run

pattern

\s*Startparameter\sfor\sthis\srun:\s*

endPattern

\s*

xml:base

incar/startparameters.xml

Input

Startparameter for this run:
  NWRITE =      2    write-flag & timer
  PREC   = normal    normal or accurate (medium, high low for compatibility)
  ISTART =      1    job   : 0-new  1-cont  2-samecut
  ICHARG =      0    charge: 1-file 2-atom 10-const
  ISPIN  =      2    spin polarized calculation?
  LNONCOLLINEAR =      F non collinear calculations
  LSORBIT =      F    spin-orbit coupling
  INIWAV =      1    electr: 0-lowe 1-rand  2-diag
  LASPH  =      T    aspherical Exc in radial PAW
  METAGGA=      F    non-selfconsistent MetaGGA calc.

Output text

1<comment class="example.output" id="startparameters">
2        <module cmlx:templateRef="startparameters">
3            <module>
4                <list cmlx:templateRef="missingID">
5                    <scalar dataType="xsd:integer" dictRef="v:ispin">2</scalar>
6                </list>
7            </module>
8        </module>
9    </comment>

Template definition

1<templateList>  <template pattern="\s*ISPIN.*" endPattern=".*" endPattern2="~">    <record>\s*ISPIN\s*={I,v:ispin}.*</record>
2        </template>
3    </templateList>