startparameters

VASP outcar

Table 545. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Partial implementation


Table attributesTable. Template attributes

AttributeValue
source VASP outcar
idstartparameters
nameStartparameter for this run
pattern\s*Startparameter\sfor\sthis\srun:\s*
endPattern\s*
xml:basestartparameters.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>