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quantum-espresso/test-suite/epw_soc/save/pb.dyn_q2.xml

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<?xml version="1.0"?>
<?iotk version="1.2.0"?>
<?iotk file_version="1.0"?>
<?iotk binary="F"?>
<?iotk qe_syntax="F"?>
<Root>
<GEOMETRY_INFO>
<NUMBER_OF_TYPES type="integer" size="1">
1
</NUMBER_OF_TYPES>
<NUMBER_OF_ATOMS type="integer" size="1">
1
</NUMBER_OF_ATOMS>
<BRAVAIS_LATTICE_INDEX type="integer" size="1">
2
</BRAVAIS_LATTICE_INDEX>
<SPIN_COMPONENTS type="integer" size="1">
1
</SPIN_COMPONENTS>
<CELL_DIMENSIONS type="real" size="6">
9.270000000000000E+000
0.000000000000000E+000
0.000000000000000E+000
0.000000000000000E+000
0.000000000000000E+000
0.000000000000000E+000
</CELL_DIMENSIONS>
<AT type="real" size="9" columns="3">
-5.000000000000000E-001 0.000000000000000E+000 5.000000000000000E-001
0.000000000000000E+000 5.000000000000000E-001 5.000000000000000E-001
-5.000000000000000E-001 5.000000000000000E-001 0.000000000000000E+000
</AT>
<BG type="real" size="9" columns="3">
-1.000000000000000E+000 -1.000000000000000E+000 1.000000000000000E+000
1.000000000000000E+000 1.000000000000000E+000 1.000000000000000E+000
-1.000000000000000E+000 1.000000000000000E+000 -1.000000000000000E+000
</BG>
<UNIT_CELL_VOLUME_AU type="real" size="1">
1.991494957500000E+002
</UNIT_CELL_VOLUME_AU>
<TYPE_NAME.1 type="character" size="1" len="3">
Pb
</TYPE_NAME.1>
<MASS.1 type="real" size="1">
2.072000000000000E+002
</MASS.1>
<ATOM.1 SPECIES="Pb " INDEX="1" TAU="0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000"/>
<NUMBER_OF_Q type="integer" size="1">
8
</NUMBER_OF_Q>
</GEOMETRY_INFO>
<DYNAMICAL_MAT_.1>
<Q_POINT type="real" size="3" columns="3">
-3.333333333333333E-001 3.333333333333333E-001 -3.333333333333333E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
1.086277594796079E-002, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
1.794682501800554E-003, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
1.794682501800554E-003, 0.000000000000000E+000
-1.794682501800552E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.1>
<DYNAMICAL_MAT_.2>
<Q_POINT type="real" size="3" columns="3">
3.333333333333333E-001 3.333333333333333E-001 -3.333333333333333E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
1.086277594796079E-002, 0.000000000000000E+000
1.794682501800555E-003, 0.000000000000000E+000
-1.794682501800553E-003, 0.000000000000000E+000
1.794682501800555E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
-1.794682501800553E-003, 0.000000000000000E+000
-1.794682501800555E-003, 0.000000000000000E+000
-1.794682501800553E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.2>
<DYNAMICAL_MAT_.3>
<Q_POINT type="real" size="3" columns="3">
3.333333333333333E-001 3.333333333333333E-001 3.333333333333333E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
1.086277594796079E-002, 0.000000000000000E+000
1.794682501800555E-003, 0.000000000000000E+000
1.794682501800553E-003, 0.000000000000000E+000
1.794682501800553E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
1.794682501800553E-003, 0.000000000000000E+000
1.794682501800553E-003, 0.000000000000000E+000
1.794682501800555E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.3>
<DYNAMICAL_MAT_.4>
<Q_POINT type="real" size="3" columns="3">
-3.333333333333333E-001 3.333333333333333E-001 3.333333333333333E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
1.086277594796079E-002, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
1.794682501800554E-003, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
1.794682501800554E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.4>
<DYNAMICAL_MAT_.5>
<Q_POINT type="real" size="3" columns="3">
3.333333333333333E-001 -3.333333333333333E-001 3.333333333333333E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
1.086277594796079E-002, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
1.794682501800554E-003, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
1.794682501800554E-003, 0.000000000000000E+000
-1.794682501800552E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.5>
<DYNAMICAL_MAT_.6>
<Q_POINT type="real" size="3" columns="3">
-3.333333333333333E-001 -3.333333333333333E-001 -3.333333333333333E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
1.086277594796079E-002, 0.000000000000000E+000
1.794682501800555E-003, 0.000000000000000E+000
1.794682501800553E-003, 0.000000000000000E+000
1.794682501800553E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
1.794682501800553E-003, 0.000000000000000E+000
1.794682501800553E-003, 0.000000000000000E+000
1.794682501800555E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.6>
<DYNAMICAL_MAT_.7>
<Q_POINT type="real" size="3" columns="3">
3.333333333333333E-001 -3.333333333333333E-001 -3.333333333333333E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
1.086277594796079E-002, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
1.794682501800554E-003, 0.000000000000000E+000
-1.794682501800554E-003, 0.000000000000000E+000
1.794682501800554E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.7>
<DYNAMICAL_MAT_.8>
<Q_POINT type="real" size="3" columns="3">
-3.333333333333333E-001 -3.333333333333333E-001 3.333333333333333E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
1.086277594796079E-002, 0.000000000000000E+000
1.794682501800555E-003, 0.000000000000000E+000
-1.794682501800553E-003, 0.000000000000000E+000
1.794682501800555E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
-1.794682501800553E-003, 0.000000000000000E+000
-1.794682501800555E-003, 0.000000000000000E+000
-1.794682501800553E-003, 0.000000000000000E+000
1.086277594796079E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.8>
<FREQUENCIES_THZ_CMM1>
<OMEGA.1 type="real" size="2" columns="2">
7.208968047935780E-001 2.404652904222087E+001
</OMEGA.1>
<DISPLACEMENT.1 type="complex" size="3">
8.974204719942769E-002, 0.000000000000000E+000
7.476937421591965E-001, 0.000000000000000E+000
6.579516949597688E-001, 0.000000000000000E+000
</DISPLACEMENT.1>
<OMEGA.2 type="real" size="2" columns="2">
7.208968047935781E-001 2.404652904222087E+001
</OMEGA.2>
<DISPLACEMENT.2 type="complex" size="3">
-8.115497715058039E-001, 0.000000000000000E+000
-3.280559930905752E-001, 0.000000000000000E+000
4.834937784152284E-001, 0.000000000000000E+000
</DISPLACEMENT.2>
<OMEGA.3 type="real" size="2" columns="2">
9.100834180493234E-001 3.035711518964641E+001
</OMEGA.3>
<DISPLACEMENT.3 type="complex" size="3">
5.773502691896256E-001, 0.000000000000000E+000
-5.773502691896258E-001, 0.000000000000000E+000
5.773502691896260E-001, 0.000000000000000E+000
</DISPLACEMENT.3>
</FREQUENCIES_THZ_CMM1>
</Root>
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