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quantum-espresso/PHonon/examples/GRID_example/reference_3/alas.dyn8.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">
2
</NUMBER_OF_TYPES>
<NUMBER_OF_ATOMS type="integer" size="1">
2
</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">
1.050000000000000E+001
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">
2.894062500000000E+002
</UNIT_CELL_VOLUME_AU>
<TYPE_NAME.1 type="character" size="1" len="3">
Al
</TYPE_NAME.1>
<MASS.1 type="real" size="1">
2.698000000000000E+001
</MASS.1>
<TYPE_NAME.2 type="character" size="1" len="3">
As
</TYPE_NAME.2>
<MASS.2 type="real" size="1">
7.492000000000000E+001
</MASS.2>
<ATOM.1 SPECIES="Al " INDEX="1" TAU="0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000"/>
<ATOM.2 SPECIES="As " INDEX="2" TAU="2.500000000000000E-001 2.500000000000000E-001 2.500000000000000E-001"/>
<NUMBER_OF_Q type="integer" size="1">
6
</NUMBER_OF_Q>
</GEOMETRY_INFO>
<DYNAMICAL_MAT_.1>
<Q_POINT type="real" size="3" columns="3">
-5.000000000000000E-001 -1.000000000000000E+000 0.000000000000000E+000
</Q_POINT>
<PHI.1.1 type="complex" size="9">
1.858617055823449E-001, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
2.373294941936224E-001, 0.000000000000000E+000
0.000000000000000E+000,-2.011881378054443E-002
0.000000000000000E+000, 0.000000000000000E+000
0.000000000000000E+000, 2.011881378054443E-002
2.373294941936224E-001, 0.000000000000000E+000
</PHI.1.1>
<PHI.1.2 type="complex" size="9">
-6.938893903907228E-018, 6.938893903907228E-018
-7.575967004436375E-002, 7.575967004436376E-002
-7.575967004436378E-002,-7.575967004436374E-002
-8.425177070280405E-002, 8.425177070280407E-002
-1.387778780781446E-017, 6.938893903907228E-018
1.387778780781446E-017,-6.938893903907228E-018
-8.425177070280408E-002,-8.425177070280404E-002
6.938893903907228E-018,-6.938893903907228E-018
-1.387778780781446E-017, 6.938893903907228E-018
</PHI.1.2>
<PHI.2.1 type="complex" size="9">
-6.938893903907228E-018,-1.387778780781446E-017
-8.425177070280407E-002,-8.425177070280408E-002
-8.425177070280407E-002, 8.425177070280405E-002
-7.575967004436376E-002,-7.575967004436378E-002
-6.938893903907228E-018,-1.387778780781446E-017
6.938893903907228E-018, 1.387778780781446E-017
-7.575967004436376E-002, 7.575967004436375E-002
6.938893903907228E-018, 1.387778780781446E-017
-6.938893903907228E-018,-1.387778780781446E-017
</PHI.2.1>
<PHI.2.2 type="complex" size="9">
2.289495878402166E-001,-8.131516293641283E-020
-1.387778780781446E-017,-1.653408313040394E-018
1.387778780781446E-017,-8.131516293641283E-020
1.387778780781446E-017, 8.131516293641283E-020
2.487697297844864E-001,-1.816038638913220E-018
1.387778780781446E-017,-2.423430138859039E-002
1.387778780781446E-017,-9.486769009248164E-019
1.387778780781446E-017, 2.423430138859039E-002
2.487697297844863E-001,-9.486769009248164E-019
</PHI.2.2>
</DYNAMICAL_MAT_.1>
<DYNAMICAL_MAT_.2>
<Q_POINT type="real" size="3" columns="3">
5.000000000000000E-001 1.000000000000000E+000 0.000000000000000E+000
</Q_POINT>
<PHI.1.1 type="complex" size="9">
1.858617055823449E-001, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
2.373294941936224E-001, 0.000000000000000E+000
0.000000000000000E+000, 2.011881378054443E-002
0.000000000000000E+000, 0.000000000000000E+000
0.000000000000000E+000,-2.011881378054443E-002
2.373294941936224E-001, 0.000000000000000E+000
</PHI.1.1>
<PHI.1.2 type="complex" size="9">
6.938893903907228E-018, 0.000000000000000E+000
-7.575967004436376E-002,-7.575967004436376E-002
-7.575967004436375E-002, 7.575967004436376E-002
-8.425177070280407E-002,-8.425177070280407E-002
-6.938893903907228E-018, 0.000000000000000E+000
6.938893903907228E-018, 0.000000000000000E+000
-8.425177070280405E-002, 8.425177070280407E-002
-6.938893903907228E-018, 0.000000000000000E+000
6.938893903907228E-018, 0.000000000000000E+000
</PHI.1.2>
<PHI.2.1 type="complex" size="9">
0.000000000000000E+000, 0.000000000000000E+000
-8.425177070280407E-002, 8.425177070280407E-002
-8.425177070280407E-002,-8.425177070280407E-002
-7.575967004436376E-002, 7.575967004436376E-002
-6.938893903907228E-018, 0.000000000000000E+000
6.938893903907228E-018, 0.000000000000000E+000
-7.575967004436376E-002,-7.575967004436376E-002
1.387778780781446E-017, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
</PHI.2.1>
<PHI.2.2 type="complex" size="9">
2.289495878402167E-001,-8.131516293641283E-020
0.000000000000000E+000, 8.131516293641283E-020
2.775557561562891E-017,-8.131516293641283E-020
2.775557561562891E-017, 1.816038638913220E-018
2.487697297844864E-001, 1.653408313040394E-018
2.775557561562891E-017, 2.423430138859040E-002
-1.387778780781446E-017,-1.816038638913220E-018
-2.775557561562891E-017,-2.423430138859039E-002
2.487697297844864E-001,-1.816038638913220E-018
</PHI.2.2>
</DYNAMICAL_MAT_.2>
<DYNAMICAL_MAT_.3>
<Q_POINT type="real" size="3" columns="3">
0.000000000000000E+000 -1.000000000000000E+000 -5.000000000000000E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
2.373294941936224E-001, 0.000000000000000E+000
0.000000000000000E+000, 2.011881378054443E-002
0.000000000000000E+000, 0.000000000000000E+000
-2.775557561562891E-017,-2.011881378054443E-002
2.373294941936223E-001, 0.000000000000000E+000
-2.775557561562891E-017, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
1.858617055823449E-001, 0.000000000000000E+000
</PHI.1.1>
<PHI.1.2 type="complex" size="9">
-9.518360436749372E-018,-5.204170427930421E-018
-9.518360436749372E-018,-8.673617379884035E-018
-8.425177070280408E-002,-8.425177070280407E-002
-4.359427371065085E-018,-1.734723475976807E-018
-4.359427371065085E-018, 1.734723475976807E-018
-8.425177070280404E-002, 8.425177070280407E-002
-7.575967004436376E-002,-7.575967004436376E-002
-7.575967004436376E-002, 7.575967004436376E-002
-8.085770142045031E-018, 1.734723475976807E-018
</PHI.1.2>
<PHI.2.1 type="complex" size="9">
-1.186045005347968E-017,-1.925929944387236E-034
-1.186045005347968E-017, 1.925929944387236E-034
-7.575967004436376E-002, 7.575967004436376E-002
-1.589512556214923E-017, 1.925929944387236E-034
-1.589512556214923E-017,-1.925929944387236E-034
-7.575967004436376E-002,-7.575967004436376E-002
-8.425177070280407E-002, 8.425177070280407E-002
-8.425177070280407E-002,-8.425177070280407E-002
-1.181521269123355E-017,-1.925929944387236E-034
</PHI.2.1>
<PHI.2.2 type="complex" size="9">
2.487697297844864E-001,-1.029992063861229E-018
-1.387778780781446E-017, 2.423430138859039E-002
1.387778780781446E-017,-1.029992063861229E-018
-1.387778780781446E-017,-2.423430138859039E-002
2.487697297844864E-001, 7.047314121155779E-019
-1.387778780781446E-017, 1.029992063861229E-018
-2.775557561562891E-017,-1.626303258728257E-019
-2.775557561562891E-017,-1.572093150103981E-018
2.289495878402166E-001,-1.626303258728257E-019
</PHI.2.2>
</DYNAMICAL_MAT_.3>
<DYNAMICAL_MAT_.4>
<Q_POINT type="real" size="3" columns="3">
0.000000000000000E+000 1.000000000000000E+000 5.000000000000000E-001
</Q_POINT>
<PHI.1.1 type="complex" size="9">
2.373294941936224E-001, 0.000000000000000E+000
0.000000000000000E+000,-2.011881378054443E-002
0.000000000000000E+000, 0.000000000000000E+000
0.000000000000000E+000, 2.011881378054443E-002
2.373294941936224E-001, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
1.858617055823449E-001, 0.000000000000000E+000
</PHI.1.1>
<PHI.1.2 type="complex" size="9">
8.899804191114716E-019,-1.734723475976807E-018
8.899804191114704E-019, 1.734723475976807E-018
-8.425177070280407E-002, 8.425177070280407E-002
-8.899804191114708E-019, 1.734723475976807E-018
-8.899804191114712E-019,-1.734723475976807E-018
-8.425177070280407E-002,-8.425177070280407E-002
-7.575967004436376E-002, 7.575967004436376E-002
-7.575967004436376E-002,-7.575967004436376E-002
-2.881599714114610E-018,-1.734723475976807E-018
</PHI.1.2>
<PHI.2.1 type="complex" size="9">
-3.186832673595646E-018,-6.938893903907228E-018
-3.186832673595647E-018, 6.938893903907228E-018
-7.575967004436376E-002,-7.575967004436376E-002
3.186832673595646E-018,-6.938893903907228E-018
3.186832673595646E-018, 6.938893903907228E-018
-7.575967004436376E-002, 7.575967004436375E-002
-8.425177070280407E-002,-8.425177070280407E-002
-8.425177070280407E-002, 8.425177070280407E-002
-6.611042263303126E-018, 6.938893903907228E-018
</PHI.2.1>
<PHI.2.2 type="complex" size="9">
2.487697297844864E-001, 7.047314121155779E-019
0.000000000000000E+000,-2.423430138859039E-002
0.000000000000000E+000, 7.047314121155779E-019
-1.387778780781446E-017, 2.423430138859039E-002
2.487697297844864E-001,-1.029992063861229E-018
-1.387778780781446E-017, 2.764715539838036E-018
2.775557561562891E-017,-1.626303258728257E-019
2.775557561562891E-017,-1.572093150103981E-018
2.289495878402166E-001, 1.572093150103981E-018
</PHI.2.2>
</DYNAMICAL_MAT_.4>
<DYNAMICAL_MAT_.5>
<Q_POINT type="real" size="3" columns="3">
0.000000000000000E+000 -5.000000000000000E-001 -1.000000000000000E+000
</Q_POINT>
<PHI.1.1 type="complex" size="9">
2.373294941936224E-001, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
-1.387778780781446E-017, 2.011881378054443E-002
0.000000000000000E+000, 0.000000000000000E+000
1.858617055823449E-001, 0.000000000000000E+000
0.000000000000000E+000, 0.000000000000000E+000
-2.775557561562891E-017,-2.011881378054443E-002
-2.775557561562891E-017, 0.000000000000000E+000
2.373294941936223E-001, 0.000000000000000E+000
</PHI.1.1>
<PHI.1.2 type="complex" size="9">
-6.938893903907228E-018,-6.938893903907228E-018
-8.425177070280407E-002,-8.425177070280407E-002
-6.938893903907228E-018,-6.938893903907228E-018
-7.575967004436376E-002,-7.575967004436376E-002
-6.938893903907228E-018,-6.938893903907228E-018
-7.575967004436375E-002, 7.575967004436376E-002
-6.938893903907228E-018,-6.938893903907228E-018
-8.425177070280404E-002, 8.425177070280407E-002
-6.938893903907228E-018,-6.938893903907228E-018
</PHI.1.2>
<PHI.2.1 type="complex" size="9">
-1.387778780781446E-017, 0.000000000000000E+000
-7.575967004436378E-002, 7.575967004436376E-002
-1.387778780781446E-017, 0.000000000000000E+000
-8.425177070280408E-002, 8.425177070280407E-002
-1.387778780781446E-017, 0.000000000000000E+000
-8.425177070280405E-002,-8.425177070280407E-002
-1.387778780781446E-017, 0.000000000000000E+000
-7.575967004436375E-002,-7.575967004436376E-002
-1.387778780781446E-017, 0.000000000000000E+000
</PHI.2.1>
<PHI.2.2 type="complex" size="9">
2.487697297844864E-001, 7.860465750519907E-019
2.775557561562891E-017, 9.486769009248164E-019
0.000000000000000E+000, 2.423430138859039E-002
-2.775557561562891E-017, 8.131516293641283E-020
2.289495878402166E-001,-8.131516293641283E-020
-2.775557561562891E-017,-1.653408313040394E-018
1.387778780781446E-017,-2.423430138859039E-002
1.387778780781446E-017, 3.550762114890027E-018
2.487697297844864E-001,-8.131516293641283E-020
</PHI.2.2>
</DYNAMICAL_MAT_.5>
<DYNAMICAL_MAT_.6>
<Q_POINT type="real" size="3" columns="3">
0.000000000000000E+000 5.000000000000000E-001 1.000000000000000E+000
</Q_POINT>
<PHI.1.1 type="complex" size="9">
2.373294941936223E-001, 0.000000000000000E+000
-2.775557561562891E-017, 0.000000000000000E+000
-1.387778780781446E-017,-2.011881378054443E-002
0.000000000000000E+000, 0.000000000000000E+000
1.858617055823449E-001, 0.000000000000000E+000
-2.775557561562891E-017, 0.000000000000000E+000
-1.387778780781446E-017, 2.011881378054443E-002
-1.387778780781446E-017, 0.000000000000000E+000
2.373294941936223E-001, 0.000000000000000E+000
</PHI.1.1>
<PHI.1.2 type="complex" size="9">
0.000000000000000E+000, 0.000000000000000E+000
-8.425177070280407E-002, 8.425177070280407E-002
0.000000000000000E+000, 0.000000000000000E+000
-7.575967004436376E-002, 7.575967004436376E-002
0.000000000000000E+000, 0.000000000000000E+000
-7.575967004436376E-002,-7.575967004436376E-002
0.000000000000000E+000, 0.000000000000000E+000
-8.425177070280407E-002,-8.425177070280407E-002
0.000000000000000E+000, 0.000000000000000E+000
</PHI.1.2>
<PHI.2.1 type="complex" size="9">
0.000000000000000E+000, 0.000000000000000E+000
-7.575967004436376E-002,-7.575967004436376E-002
0.000000000000000E+000, 0.000000000000000E+000
-8.425177070280407E-002,-8.425177070280407E-002
0.000000000000000E+000, 0.000000000000000E+000
-8.425177070280405E-002, 8.425177070280407E-002
0.000000000000000E+000, 0.000000000000000E+000
-7.575967004436376E-002, 7.575967004436376E-002
0.000000000000000E+000, 0.000000000000000E+000
</PHI.2.1>
<PHI.2.2 type="complex" size="9">
2.487697297844864E-001,-8.131516293641283E-020
2.775557561562891E-017, 8.131516293641283E-020
0.000000000000000E+000,-2.423430138859039E-002
-1.387778780781446E-017, 8.131516293641283E-020
2.289495878402166E-001,-8.131516293641283E-020
-1.387778780781446E-017, 8.131516293641283E-020
0.000000000000000E+000, 2.423430138859039E-002
0.000000000000000E+000,-1.653408313040394E-018
2.487697297844864E-001,-8.131516293641283E-020
</PHI.2.2>
</DYNAMICAL_MAT_.6>
<FREQUENCIES_THZ_CMM1>
<OMEGA.1 type="real" size="2" columns="2">
3.747049330845390E+000 1.249881119706284E+002
</OMEGA.1>
<DISPLACEMENT.1 type="complex" size="6">
-5.220185318731403E-001,-5.220185318731407E-001
-7.355385406747385E-018, 1.277755337656264E-015
-1.110113732536359E-015,-1.724227327025957E-016
-1.577725675063302E-015, 1.111599620263043E-015
1.682532896433880E-016,-4.769660914373378E-001
-4.769660914373379E-001, 0.000000000000000E+000
</DISPLACEMENT.1>
<OMEGA.2 type="real" size="2" columns="2">
4.016743054369970E+000 1.339841262574381E+002
</OMEGA.2>
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1.426474604812012E-015, 1.589348487895485E-015
-1.156819375798950E-001, 4.395839441002897E-001
-4.395839441002901E-001,-1.156819375798951E-001
-6.616626072383733E-001, 3.859661707928653E-001
-1.674432794458611E-016, 1.491450990189762E-015
1.435725667024234E-015, 0.000000000000000E+000
</DISPLACEMENT.2>
<OMEGA.3 type="real" size="2" columns="2">
5.965591844966772E+000 1.989907246087816E+002
</OMEGA.3>
<DISPLACEMENT.3 type="complex" size="6">
-2.084038720556631E-016, 2.078618593845170E-016
-1.538834857598845E-016, 2.251626495722985E-017
-2.289921193355872E-016,-8.646713775773993E-017
-1.925344816523496E-016,-2.002261281482062E-016
-2.240381420119483E-016, 7.071067811865475E-001
-7.071067811865475E-001, 0.000000000000000E+000
</DISPLACEMENT.3>
<OMEGA.4 type="real" size="2" columns="2">
1.053721084335452E+001 3.514835200875707E+002
</OMEGA.4>
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6.578546831183383E-001, 6.578546831183383E-001
-5.893355629416442E-015,-6.269642253892425E-015
-2.442662069388898E-015, 2.683100769764505E-015
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6.055987609567267E-017,-2.592821164277838E-001
-2.592821164277838E-001, 0.000000000000000E+000
</DISPLACEMENT.4>
<OMEGA.5 type="real" size="2" columns="2">
1.064471482342343E+001 3.550694668717593E+002
</OMEGA.5>
<DISPLACEMENT.5 type="complex" size="6">
4.591802808501562E-015, 4.682170954460371E-015
4.911524908119347E-001, 5.086936511980747E-001
5.086936511980842E-001,-4.911524908119328E-001
-1.805100711036217E-015, 1.165924334694673E-015
3.238158118717938E-017,-1.737577910395406E-015
-1.800394271762834E-015, 0.000000000000000E+000
</DISPLACEMENT.5>
<OMEGA.6 type="real" size="2" columns="2">
1.075890241598584E+001 3.588783549713527E+002
</OMEGA.6>
<DISPLACEMENT.6 type="complex" size="6">
2.302790325886735E-015, 2.331270887564915E-015
4.390144962214122E-001, 5.151917192668579E-001
-5.151917192668594E-001, 4.390144962214005E-001
2.302150494942770E-002,-2.883704896873286E-001
-9.313436874405296E-017,-8.858080928014561E-016
-8.083117409419733E-016, 0.000000000000000E+000
</DISPLACEMENT.6>
</FREQUENCIES_THZ_CMM1>
</Root>
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