quantum-espresso/test-suite/epw_soc/save/pb.phsave/patterns.4.xml

77 lines
2.3 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">
4
</QPOINT_NUMBER>
<QPOINT_GROUP_RANK type="integer" size="1">
4
</QPOINT_GROUP_RANK>
<MINUS_Q_SYM type="logical" size="1">
F
</MINUS_Q_SYM>
<NUMBER_IRR_REP type="integer" size="1">
3
</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 D_1 S_1
</SYMMETRY_TYPE>
<DISPLACEMENT_PATTERN type="complex" size="3">
-7.071067811865476E-001,-0.000000000000000E+000
-6.045388827368202E-017,-3.218511919823182E-017
-7.071067811865475E-001,-1.311256070811120E-032
</DISPLACEMENT_PATTERN>
</PERTURBATION.1>
</REPRESENTION.1>
<REPRESENTION.2>
<NUMBER_OF_PERTURBATIONS type="integer" size="1">
1
</NUMBER_OF_PERTURBATIONS>
<PERTURBATION.1>
<SYMMETRY_TYPE_CODE type="integer" size="1">
3
</SYMMETRY_TYPE_CODE>
<SYMMETRY_TYPE type="character" size="1" len="15">
B_1 D_3 S_3
</SYMMETRY_TYPE>
<DISPLACEMENT_PATTERN type="complex" size="3">
-7.071067811865475E-001,-0.000000000000000E+000
-2.250570885006315E-014, 1.053868865568728E-030
7.071067811865476E-001,-1.008966646125400E-030
</DISPLACEMENT_PATTERN>
</PERTURBATION.1>
</REPRESENTION.2>
<REPRESENTION.3>
<NUMBER_OF_PERTURBATIONS type="integer" size="1">
1
</NUMBER_OF_PERTURBATIONS>
<PERTURBATION.1>
<SYMMETRY_TYPE_CODE type="integer" size="1">
4
</SYMMETRY_TYPE_CODE>
<SYMMETRY_TYPE type="character" size="1" len="15">
B_2 D_4 S_4
</SYMMETRY_TYPE>
<DISPLACEMENT_PATTERN type="complex" size="3">
1.595675176582452E-014,-2.265553454837184E-017
-1.000000000000000E+000,-2.168404344971009E-019
-1.587119198894233E-014,-2.275831603836780E-017
</DISPLACEMENT_PATTERN>
</PERTURBATION.1>
</REPRESENTION.3>
</IRREPS_INFO>
</Root>