dos

VASP outcar

Table 559. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Partial implementation


Table attributesTable. Template attributes

AttributeValue
source VASP outcar
iddos
nameDOS related values
pattern\s*DOS\srelated\svalues:\s*
endPattern\s*
endPattern2~
xml:basedos.xml


Input. 

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     0;   SIGMA  =   0.05  broadening in eV -4-tet -1-fermi 0-gaus
	
	

Output text. 

<comment class="example.output" id="dos">
		<module cmlx:templateRef="dos">
			<module>
				<list cmlx:templateRef="missingID">
					<list>
						<scalar dataType="xsd:integer" dictRef="v:ismear">0</scalar>
						<scalar dataType="xsd:double" dictRef="v:sigma">0.05</scalar>
					</list>
				</list>
			</module>
		</module>	
	</comment>