quantum-espresso/test-suite/epw_soc/save/pb.phsave/patterns.3.xml

72 lines
2.1 KiB
XML

<?xml version="1.0"?>
<?iotk version="1.2.0"?>
<?iotk file_version="1.0"?>
<?iotk binary="F"?>
<?iotk qe_syntax="F"?>
<Root>
<IRREPS_INFO>
<QPOINT_NUMBER type="integer" size="1">
3
</QPOINT_NUMBER>
<QPOINT_GROUP_RANK type="integer" size="1">
8
</QPOINT_GROUP_RANK>
<MINUS_Q_SYM type="logical" size="1">
F
</MINUS_Q_SYM>
<NUMBER_IRR_REP type="integer" size="1">
2
</NUMBER_IRR_REP>
<REPRESENTION.1>
<NUMBER_OF_PERTURBATIONS type="integer" size="1">
1
</NUMBER_OF_PERTURBATIONS>
<PERTURBATION.1>
<SYMMETRY_TYPE_CODE type="integer" size="1">
1
</SYMMETRY_TYPE_CODE>
<SYMMETRY_TYPE type="character" size="1" len="15">
A_1 G_1 D_1
</SYMMETRY_TYPE>
<DISPLACEMENT_PATTERN type="complex" size="3">
1.760642079444959E-016, 2.541534466859332E-017
-1.000000000000000E+000,-0.000000000000000E+000
-1.235426228190444E-032, 2.285706775051602E-017
</DISPLACEMENT_PATTERN>
</PERTURBATION.1>
</REPRESENTION.1>
<REPRESENTION.2>
<NUMBER_OF_PERTURBATIONS type="integer" size="1">
2
</NUMBER_OF_PERTURBATIONS>
<PERTURBATION.1>
<SYMMETRY_TYPE_CODE type="integer" size="1">
5
</SYMMETRY_TYPE_CODE>
<SYMMETRY_TYPE type="character" size="1" len="15">
E G_5 D_5
</SYMMETRY_TYPE>
<DISPLACEMENT_PATTERN type="complex" size="3">
-6.101323863593060E-001,-2.775557561562891E-017
-5.822658446655129E-017,-6.458045006187657E-017
7.418531235146091E-001, 2.781949213179785E-001
</DISPLACEMENT_PATTERN>
</PERTURBATION.1>
<PERTURBATION.2>
<SYMMETRY_TYPE_CODE type="integer" size="1">
5
</SYMMETRY_TYPE_CODE>
<SYMMETRY_TYPE type="character" size="1" len="15">
E G_5 D_5
</SYMMETRY_TYPE>
<DISPLACEMENT_PATTERN type="complex" size="3">
-7.922994832230414E-001,-0.000000000000000E+000
-8.876523568768186E-017,-4.878501523164005E-017
-5.712847555280475E-001,-2.142317833230178E-001
</DISPLACEMENT_PATTERN>
</PERTURBATION.2>
</REPRESENTION.2>
</IRREPS_INFO>
</Root>