quantum-espresso/test-suite/epw_metal/save/pb.phsave/patterns.2.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">
2
</QPOINT_NUMBER>
<QPOINT_GROUP_RANK type="integer" size="1">
6
</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 L_1
</SYMMETRY_TYPE>
<DISPLACEMENT_PATTERN type="complex" size="3">
-5.773502691896257E-001,-0.000000000000000E+000
5.773502691896257E-001, 7.531417954529034E-020
-5.773502691896257E-001,-1.176069370882425E-018
</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">
3
</SYMMETRY_TYPE_CODE>
<SYMMETRY_TYPE type="character" size="1" len="15">
E L_3
</SYMMETRY_TYPE>
<DISPLACEMENT_PATTERN type="complex" size="3">
-3.345015338247996E-001,-0.000000000000000E+000
-8.122890873634422E-001, 2.666092897963029E-003
-4.777875535386425E-001, 2.666092897963028E-003
</DISPLACEMENT_PATTERN>
</PERTURBATION.1>
<PERTURBATION.2>
<SYMMETRY_TYPE_CODE type="integer" size="1">
3
</SYMMETRY_TYPE_CODE>
<SYMMETRY_TYPE type="character" size="1" len="15">
E L_3
</SYMMETRY_TYPE>
<DISPLACEMENT_PATTERN type="complex" size="3">
-7.448324580303433E-001,-2.168404344971009E-019
-8.273187753400095E-002,-1.197332573349949E-003
6.621005804963425E-001,-1.197332573349948E-003
</DISPLACEMENT_PATTERN>
</PERTURBATION.2>
</REPRESENTION.2>
</IRREPS_INFO>
</Root>