startparameters

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source VASP outcar
id startparameters
name Startparameter for this run
pattern \s*St artparametersforsthissrun: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.

<comment class="example.output" id="startparameters">
        <module cmlx:templateRef="startparameters">
            <module>
                <list cmlx:templateRef="missingID">
                    <scalar dataType="xsd:integer" dictRef="v:ispin">2</scalar>
                </list>
            </module>
        </module>
    </comment>

Template definition.

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