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quantum-espresso/test-suite/epw_soc/save/pb.dyn_q3.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">
6
</NUMBER_OF_Q>
</GEOMETRY_INFO>
<DYNAMICAL_MAT_.1>
<Q_POINT type="real" size="3" columns="3">
0.000000000000000E+000 6.666666666666666E-001 0.000000000000000E+000
</Q_POINT>
<PHI.1.1 type="complex" size="9">
-1.750396523550533E-002, 0.000000000000000E+000
1.734723475976807E-018, 0.000000000000000E+000
-1.734723475976807E-018, 0.000000000000000E+000
-3.469446951953614E-018, 0.000000000000000E+000
5.667068338698299E-002, 0.000000000000000E+000
-3.469446951953614E-018, 0.000000000000000E+000
-1.734723475976807E-018, 0.000000000000000E+000
1.734723475976807E-018, 0.000000000000000E+000
-1.750396523550533E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.1>
<DYNAMICAL_MAT_.2>
<Q_POINT type="real" size="3" columns="3">
-6.666666666666666E-001 0.000000000000000E+000 0.000000000000000E+000
</Q_POINT>
<PHI.1.1 type="complex" size="9">
5.667068338698300E-002, 0.000000000000000E+000
1.734723475976807E-018, 0.000000000000000E+000
-8.673617379884035E-018, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
-1.750396523550533E-002, 0.000000000000000E+000
3.469446951953614E-018, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
3.469446951953614E-018, 0.000000000000000E+000
-1.750396523550533E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.2>
<DYNAMICAL_MAT_.3>
<Q_POINT type="real" size="3" columns="3">
0.000000000000000E+000 -6.666666666666666E-001 0.000000000000000E+000
</Q_POINT>
<PHI.1.1 type="complex" size="9">
-1.750396523550532E-002, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
1.734723475976807E-018, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
5.667068338698299E-002, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
3.469446951953614E-018, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
-1.750396523550532E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.3>
<DYNAMICAL_MAT_.4>
<Q_POINT type="real" size="3" columns="3">
0.000000000000000E+000 0.000000000000000E+000 6.666666666666666E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
-1.750396523550533E-002, 0.000000000000000E+000
1.734723475976807E-018, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
3.469446951953614E-018, 0.000000000000000E+000
-1.750396523550532E-002, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
1.734723475976807E-018, 0.000000000000000E+000
1.734723475976807E-018, 0.000000000000000E+000
5.667068338698299E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.4>
<DYNAMICAL_MAT_.5>
<Q_POINT type="real" size="3" columns="3">
0.000000000000000E+000 0.000000000000000E+000 -6.666666666666666E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
-1.750396523550533E-002, 0.000000000000000E+000
-5.204170427930421E-018, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
-3.469446951953614E-018, 0.000000000000000E+000
-1.750396523550533E-002, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
-1.734723475976807E-018, 0.000000000000000E+000
-1.734723475976807E-018, 0.000000000000000E+000
5.667068338698300E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.5>
<DYNAMICAL_MAT_.6>
<Q_POINT type="real" size="3" columns="3">
6.666666666666666E-001 0.000000000000000E+000 0.000000000000000E+000
</Q_POINT>
<PHI.1.1 type="complex" size="9">
5.667068338698300E-002, 0.000000000000000E+000
5.204170427930421E-018, 0.000000000000000E+000
-5.204170427930421E-018, 0.000000000000000E+000
-1.734723475976807E-018, 0.000000000000000E+000
-1.750396523550532E-002, 0.000000000000000E+000
-1.734723475976807E-018, 0.000000000000000E+000
1.734723475976807E-018, 0.000000000000000E+000
-1.734723475976807E-018, 0.000000000000000E+000
-1.750396523550532E-002, 0.000000000000000E+000
</PHI.1.1>
</DYNAMICAL_MAT_.6>
<FREQUENCIES_THZ_CMM1>
<OMEGA.1 type="real" size="2" columns="2">
-1.001574659904382E+000 -3.340893452044021E+001
</OMEGA.1>
<DISPLACEMENT.1 type="complex" size="3">
8.862099192898053E-001, 0.000000000000000E+000
-1.969590461470754E-017, 0.000000000000000E+000
4.632839075041966E-001, 0.000000000000000E+000
</DISPLACEMENT.1>
<OMEGA.2 type="real" size="2" columns="2">
-1.001574659904382E+000 -3.340893452044019E+001
</OMEGA.2>
<DISPLACEMENT.2 type="complex" size="3">
4.632839075041966E-001, 0.000000000000000E+000
1.698174662042303E-016, 0.000000000000000E+000
-8.862099192898053E-001, 0.000000000000000E+000
</DISPLACEMENT.2>
<OMEGA.3 type="real" size="2" columns="2">
1.802164091737188E+000 6.011372346589144E+001
</OMEGA.3>
<DISPLACEMENT.3 type="complex" size="3">
-1.466972585575626E-017, 0.000000000000000E+000
1.000000000000000E+000, 0.000000000000000E+000
1.486558745822877E-016, 0.000000000000000E+000
</DISPLACEMENT.3>
</FREQUENCIES_THZ_CMM1>
</Root>
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