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# 8 File Formats

`PHonon` recover file specifications:

Format name: QEXML
Format version: 1.4.0

The structure of the file `status_run.xml` is:

    <Root>
      <STATUS_PH>
        <STOPPED_IN>
         <where_rec>
        </STOPPED_IN>
        <RECOVER_CODE>
         <rec_code>
        </RECOVER_CODE>
        <CURRENT_Q>
         <current_iq>
        </CURRENT_Q>
        <CURRENT_IU>
         <current_iu>
        </CURRENT_IU>
      </STATUS_PH>
    </Root>

The structure of the file `control_run.xml` is:

    <Root>
      <HEADER>
        <FORMAT>
        <CREATOR>
      </HEADER>
      <CONTROL>
        <DISPERSION_RUN>
         <ldisp>
        </DISPERSION_RUN>
        <ELECTRIC_FIELD>
         <epsil>
        </ELECTRIC_FIELD>
        <PHONON_RUN>
         <trans>
        </PHONON_RUN>
        <ELECTRON_PHONON>
         <elph>
        </ELECTRON_PHONON>
        <EFFECTIVE_CHARGE_EU>
         <zeu>
        </EFFECTIVE_CHARGE_EU>
        <EFFECTIVE_CHARGE_PH>
        <zue>
        </EFFECTIVE_CHARGE_PH>
        <RAMAN_TENSOR>
        <lraman>
        </RAMAN_TENSOR>
        <ELECTRO_OPTIC>
        <elop>
        </ELECTRO_OPTIC>
        <FREQUENCY_DEP_POL>
        <fpol>
        </FREQUENCY_DEP_POL>
      </CONTROL>
      <Q_POINTS>
        <NUMBER_OF_Q_POINTS>
         <nqs>
        </NUMBER_OF_Q_POINTS>
        <UNITS_FOR_Q-POINT>
        <Q-POINT_COORDINATES>
        <x_q(3,nqs)>
        </Q-POINT_COORDINATES>
      </Q_POINTS>
    </Root>

The structure of the file `tensors.xml` is:

    <Root>
      <EF_TENSORS>
        <DONE_ELECTRIC_FIELD>
        <done_epsil>
        </DONE_ELECTRIC_FIELD>
        <DONE_START_EFFECTIVE_CHARGE>
        <done_start_zstar>
        </DONE_START_EFFECTIVE_CHARGE>
        <DONE_EFFECTIVE_CHARGE_EU>
        <done_zeu>
        </DONE_EFFECTIVE_CHARGE_EU>
        <DONE_EFFECTIVE_CHARGE_PH>
        <done_zue>
        </DONE_EFFECTIVE_CHARGE_PH>
        <DONE_RAMAN_TENSOR>
        <done_raman>
        </DONE_RAMAN_TENSOR>
        <DONE_ELECTRO_OPTIC>
        <done_elop>
        </DONE_ELECTRO_OPTIC>
        <DIELECTRIC_CONSTANT>
        <epsil>
        </DIELECTRIC_CONSTANT>
        <START_EFFECTIVE_CHARGES>
        <zstareu0>
        </START_EFFECTIVE_CHARGES>
        <EFFECTIVE_CHARGES_EU>
        <zstareu>
        </EFFECTIVE_CHARGES_EU>
        <RAMAN_TNS>
        <ramantns>
        </RAMAN_TNS>
        <ELOP_TNS>
        <eloptns>
        </ELOP_TNS>
        <EFFECTIVE_CHARGES_UE>
        <zstarue>
        </EFFECTIVE_CHARGES_UE>
      </EF_TENSORS>
    </Root>

The structure of the file `patterns.#iq.xml` is:

    <Root>
      <IRREPS_INFO>
        <QPOINT_NUMBER>
          <iq>
        </QPOINT_NUMBER>
        <QPOINT_GROUP_RANK>
           <nsymq>
        </QPOINT_GROUP_RANK>
        <MINUS_Q_SYM>
         <minus_q>
        </MINUS_Q_SYM>
        <NUMBER_IRR_REP>
         <nirr>
        </NUMBER_IRR_REP>
    #for each irr
        <REPRESENTION.irr>
          <NUMBER_OF_PERTURBATIONS>
            <npert(irr)>
          </NUMBER_OF_PERTURBATIONS>
    #for each ipert
          <PERTURBATION.ipert>
            <SYMMETRY_TYPE_CODE>
             <num_rap_mode>
            </SYMMETRY_TYPE_CODE>
            <SYMMETRY_TYPE>
             <name_rap_mode>
            </SYMMETRY_TYPE>
            <DISPLACEMENT_PATTERN>
             <u>
            </DISPLACEMENT_PATTERN>
          </PERTURBATION.ipert>
        </REPRESENTION.irr>
      </IRREPS_INFO>
    </Root>

The structure of the file `dynmat.#iq.#irr.xml` is:

    <Root>
      <PM_HEADER>
        <DONE_IRR>
         done_irr(irr)
        </DONE_IRR>
      </PM_HEADER>
      <PARTIAL_MATRIX>
        <PARTIAL_DYN>
         <dynmat_rec>
        </PARTIAL_DYN>
      </PARTIAL_MATRIX>
    </Root>

The structure of the file `elph.#iq.#irr.xml` is:

    <Root>
      <EL_PHON_HEADER>
        <DONE_ELPH type="logical" size="1">
         <done_elph_iq(irr,iq)>
        </DONE_ELPH>
      </EL_PHON_HEADER>
      <PARTIAL_EL_PHON>
        <NUMBER_OF_K>
          <nksqtot>
        </NUMBER_OF_K>
        <NUMBER_OF_BANDS>
            <nbnd>
        </NUMBER_OF_BANDS>
    #for each ik
        <K_POINT.ik>
          <COORDINATES_XK>
           xk(ik)
          </COORDINATES_XK>
          <PARTIAL_ELPH>
           el_ph_mat_rec_col
          </PARTIAL_ELPH>
        </K_POINT.ik>
    #enddo
      </PARTIAL_EL_PHON>
    </Root>

    </Root>