dos

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source VASP outcar
id dos
name DOS related values
pattern \s*DOSsrelatedsvalues: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>