dos

Implementation level

Type	Status
CML extraction template
HTML5 representation

Template attributes

Attribute	Value
source	VASP outcar
id	dos
name	DOS related values
pattern	\s*DOS\srelated\svalues:\s*
endPattern	\s*
endPattern2	~
xml:base	incar/dos.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>

Template definition

<templateList>  <template pattern="\s*ISMEAR.*" endPattern=".*" endPattern2="~">    <record>\s*ISMEAR\s*={I,v:ismear};\s*SIGMA\s*={F,v:sigma}.*</record>
        </template>
    </templateList>