mirror of https://gitlab.com/QEF/q-e.git
67 lines
2.0 KiB
XML
67 lines
2.0 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">
|
|
1
|
|
</QPOINT_NUMBER>
|
|
<QPOINT_GROUP_RANK type="integer" size="1">
|
|
48
|
|
</QPOINT_GROUP_RANK>
|
|
<MINUS_Q_SYM type="logical" size="1">
|
|
T
|
|
</MINUS_Q_SYM>
|
|
<NUMBER_IRR_REP type="integer" size="1">
|
|
1
|
|
</NUMBER_IRR_REP>
|
|
<REPRESENTION.1>
|
|
<NUMBER_OF_PERTURBATIONS type="integer" size="1">
|
|
3
|
|
</NUMBER_OF_PERTURBATIONS>
|
|
<PERTURBATION.1>
|
|
<SYMMETRY_TYPE_CODE type="integer" size="1">
|
|
9
|
|
</SYMMETRY_TYPE_CODE>
|
|
<SYMMETRY_TYPE type="character" size="1" len="15">
|
|
T_1u G_15 G_4-
|
|
</SYMMETRY_TYPE>
|
|
<DISPLACEMENT_PATTERN type="complex" size="3">
|
|
-7.651706175830850E-001,-0.000000000000000E+000
|
|
5.574014538962744E-001,-0.000000000000000E+000
|
|
3.222073015650634E-001,-0.000000000000000E+000
|
|
</DISPLACEMENT_PATTERN>
|
|
</PERTURBATION.1>
|
|
<PERTURBATION.2>
|
|
<SYMMETRY_TYPE_CODE type="integer" size="1">
|
|
9
|
|
</SYMMETRY_TYPE_CODE>
|
|
<SYMMETRY_TYPE type="character" size="1" len="15">
|
|
T_1u G_15 G_4-
|
|
</SYMMETRY_TYPE>
|
|
<DISPLACEMENT_PATTERN type="complex" size="3">
|
|
-1.693377485254786E-001,-0.000000000000000E+000
|
|
3.085981544910598E-001,-0.000000000000000E+000
|
|
-9.359978130150913E-001,-0.000000000000000E+000
|
|
</DISPLACEMENT_PATTERN>
|
|
</PERTURBATION.2>
|
|
<PERTURBATION.3>
|
|
<SYMMETRY_TYPE_CODE type="integer" size="1">
|
|
9
|
|
</SYMMETRY_TYPE_CODE>
|
|
<SYMMETRY_TYPE type="character" size="1" len="15">
|
|
T_1u G_15 G_4-
|
|
</SYMMETRY_TYPE>
|
|
<DISPLACEMENT_PATTERN type="complex" size="3">
|
|
-6.211591204448679E-001,-0.000000000000000E+000
|
|
-7.707598836466721E-001,-0.000000000000000E+000
|
|
-1.417411332293010E-001,-0.000000000000000E+000
|
|
</DISPLACEMENT_PATTERN>
|
|
</PERTURBATION.3>
|
|
</REPRESENTION.1>
|
|
</IRREPS_INFO>
|
|
</Root>
|
|
|