mirror of https://gitlab.com/QEF/q-e.git
717 lines
30 KiB
XML
717 lines
30 KiB
XML
<?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">
|
|
12
|
|
</NUMBER_OF_Q>
|
|
</GEOMETRY_INFO>
|
|
<DYNAMICAL_MAT_.1>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
5.000000000000000E-001 0.000000000000000E+000 5.000000000000000E-001
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
-1.387778780781446E-017, 1.068182410966971E-001
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
-6.938893903907228E-018,-7.067519312204523E-002
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
-1.387778780781446E-017, 1.083445034621516E-001
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
-1.387778780781446E-017,-7.067519312204523E-002
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
-2.081668171172169E-017, 1.068182410966971E-001
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
-1.387778780781446E-017,-1.068182410966971E-001
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
-6.938893903907228E-018, 7.067519312204523E-002
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
-1.387778780781446E-017,-1.083445034621516E-001
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
-1.387778780781446E-017, 7.067519312204523E-002
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
-2.081668171172169E-017,-1.068182410966971E-001
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.348594246565124E-001, 1.626303258728257E-019
|
|
-1.387778780781446E-017, 1.314763864341544E-002
|
|
2.638097425904898E-002, 1.626303258728257E-019
|
|
-1.387778780781446E-017,-1.314763864341544E-002
|
|
2.436788550057826E-001, 1.626303258728257E-019
|
|
-1.387778780781446E-017,-1.314763864341544E-002
|
|
2.638097425904898E-002, 1.626303258728257E-019
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
2.348594246565124E-001, 1.626303258728257E-019
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.1>
|
|
<DYNAMICAL_MAT_.2>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
-5.000000000000000E-001 0.000000000000000E+000 -5.000000000000000E-001
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
0.000000000000000E+000,-1.068182410966971E-001
|
|
-9.221840595868921E-002, 2.081668171172169E-017
|
|
6.938893903907228E-018, 7.067519312204523E-002
|
|
-7.533624974559638E-002, 6.938893903907228E-018
|
|
0.000000000000000E+000,-1.083445034621516E-001
|
|
-7.533624974559638E-002, 6.938893903907228E-018
|
|
0.000000000000000E+000, 7.067519312204523E-002
|
|
-9.221840595868921E-002, 1.387778780781446E-017
|
|
-6.938893903907228E-018,-1.068182410966970E-001
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
0.000000000000000E+000, 1.068182410966971E-001
|
|
-7.533624974559638E-002,-2.081668171172169E-017
|
|
6.938893903907228E-018,-7.067519312204523E-002
|
|
-9.221840595868921E-002,-6.938893903907228E-018
|
|
0.000000000000000E+000, 1.083445034621516E-001
|
|
-9.221840595868921E-002,-6.938893903907228E-018
|
|
0.000000000000000E+000,-7.067519312204523E-002
|
|
-7.533624974559638E-002,-1.387778780781446E-017
|
|
-6.938893903907228E-018, 1.068182410966970E-001
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.348594246565124E-001,-1.626303258728257E-019
|
|
-1.387778780781446E-017,-1.314763864341544E-002
|
|
2.638097425904898E-002,-1.626303258728257E-019
|
|
-1.387778780781446E-017, 1.314763864341544E-002
|
|
2.436788550057826E-001,-1.626303258728257E-019
|
|
-1.387778780781446E-017, 1.314763864341544E-002
|
|
2.638097425904898E-002,-1.626303258728257E-019
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
2.348594246565124E-001,-1.626303258728257E-019
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.2>
|
|
<DYNAMICAL_MAT_.3>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
0.000000000000000E+000 -5.000000000000000E-001 5.000000000000000E-001
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
-1.083445034621516E-001,-1.387778780781446E-017
|
|
0.000000000000000E+000,-7.533624974559638E-002
|
|
0.000000000000000E+000, 7.533624974559638E-002
|
|
0.000000000000000E+000,-9.221840595868921E-002
|
|
-1.068182410966971E-001,-1.387778780781446E-017
|
|
-7.067519312204525E-002, 1.387778780781446E-017
|
|
0.000000000000000E+000, 9.221840595868921E-002
|
|
-7.067519312204523E-002, 1.387778780781446E-017
|
|
-1.068182410966971E-001,-1.387778780781446E-017
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
-1.083445034621516E-001, 1.387778780781446E-017
|
|
0.000000000000000E+000, 9.221840595868921E-002
|
|
0.000000000000000E+000,-9.221840595868921E-002
|
|
0.000000000000000E+000, 7.533624974559638E-002
|
|
-1.068182410966971E-001, 1.387778780781446E-017
|
|
-7.067519312204525E-002,-1.387778780781446E-017
|
|
0.000000000000000E+000,-7.533624974559638E-002
|
|
-7.067519312204523E-002,-1.387778780781446E-017
|
|
-1.068182410966971E-001, 1.387778780781446E-017
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.436788550057826E-001, 1.626303258728257E-019
|
|
-1.387778780781446E-017,-1.314763864341544E-002
|
|
1.387778780781446E-017, 1.314763864341544E-002
|
|
-1.387778780781446E-017, 1.314763864341544E-002
|
|
2.348594246565125E-001, 1.626303258728257E-019
|
|
-2.638097425904896E-002,-1.626303258728257E-019
|
|
1.387778780781446E-017,-1.314763864341544E-002
|
|
-2.638097425904896E-002,-1.626303258728257E-019
|
|
2.348594246565124E-001, 1.626303258728257E-019
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.3>
|
|
<DYNAMICAL_MAT_.4>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
5.000000000000000E-001 -5.000000000000000E-001 0.000000000000000E+000
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711033E-002
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
-1.068182410966971E-001,-1.387778780781446E-017
|
|
-7.067519312204523E-002, 1.387778780781446E-017
|
|
0.000000000000000E+000, 9.221840595868923E-002
|
|
-7.067519312204523E-002, 2.081668171172169E-017
|
|
-1.068182410966971E-001,-6.938893903907228E-018
|
|
0.000000000000000E+000,-9.221840595868923E-002
|
|
0.000000000000000E+000, 7.533624974559638E-002
|
|
0.000000000000000E+000,-7.533624974559638E-002
|
|
-1.083445034621516E-001, 0.000000000000000E+000
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
-1.068182410966971E-001, 1.387778780781446E-017
|
|
-7.067519312204523E-002,-1.387778780781446E-017
|
|
0.000000000000000E+000,-7.533624974559637E-002
|
|
-7.067519312204523E-002,-6.938893903907228E-018
|
|
-1.068182410966971E-001, 2.081668171172169E-017
|
|
0.000000000000000E+000, 7.533624974559637E-002
|
|
0.000000000000000E+000,-9.221840595868921E-002
|
|
0.000000000000000E+000, 9.221840595868921E-002
|
|
-1.083445034621516E-001, 2.775557561562891E-017
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.348594246565124E-001, 1.084202172485504E-019
|
|
-2.638097425904899E-002,-1.084202172485504E-019
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
-2.638097425904899E-002,-1.084202172485504E-019
|
|
2.348594246565125E-001, 1.084202172485504E-019
|
|
2.775557561562891E-017, 1.314763864341544E-002
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
2.436788550057826E-001, 1.084202172485504E-019
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.4>
|
|
<DYNAMICAL_MAT_.5>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
0.000000000000000E+000 -5.000000000000000E-001 -5.000000000000000E-001
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
0.000000000000000E+000, 1.745573751711033E-002
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
0.000000000000000E+000,-1.083445034621516E-001
|
|
-7.533624974559638E-002, 1.387778780781446E-017
|
|
-7.533624974559638E-002, 1.387778780781446E-017
|
|
-9.221840595868921E-002, 1.387778780781446E-017
|
|
6.938893903907228E-018,-1.068182410966971E-001
|
|
-6.938893903907228E-018, 7.067519312204523E-002
|
|
-9.221840595868921E-002, 1.387778780781446E-017
|
|
6.938893903907228E-018, 7.067519312204523E-002
|
|
-1.387778780781446E-017,-1.068182410966971E-001
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
0.000000000000000E+000, 1.083445034621516E-001
|
|
-9.221840595868921E-002,-1.387778780781446E-017
|
|
-9.221840595868919E-002,-1.387778780781446E-017
|
|
-7.533624974559638E-002,-1.387778780781446E-017
|
|
-6.938893903907228E-018, 1.068182410966971E-001
|
|
6.938893903907228E-018,-7.067519312204523E-002
|
|
-7.533624974559638E-002,-1.387778780781446E-017
|
|
-6.938893903907228E-018,-7.067519312204523E-002
|
|
1.387778780781446E-017, 1.068182410966971E-001
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.436788550057826E-001,-1.626303258728257E-019
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
2.348594246565125E-001,-1.626303258728257E-019
|
|
2.638097425904899E-002, 1.626303258728257E-019
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
2.638097425904899E-002, 1.626303258728257E-019
|
|
2.348594246565125E-001,-1.626303258728257E-019
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.5>
|
|
<DYNAMICAL_MAT_.6>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
-5.000000000000000E-001 0.000000000000000E+000 5.000000000000000E-001
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711033E-002
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
-1.068182410966971E-001,-1.387778780781446E-017
|
|
0.000000000000000E+000,-9.221840595868921E-002
|
|
-7.067519312204523E-002, 1.387778780781446E-017
|
|
0.000000000000000E+000,-7.533624974559638E-002
|
|
-1.083445034621516E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000, 7.533624974559638E-002
|
|
-7.067519312204523E-002, 6.938893903907228E-018
|
|
0.000000000000000E+000, 9.221840595868923E-002
|
|
-1.068182410966971E-001,-2.081668171172169E-017
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
-1.068182410966971E-001, 1.387778780781446E-017
|
|
0.000000000000000E+000, 7.533624974559638E-002
|
|
-7.067519312204523E-002,-1.387778780781446E-017
|
|
0.000000000000000E+000, 9.221840595868921E-002
|
|
-1.083445034621516E-001, 2.775557561562891E-017
|
|
0.000000000000000E+000,-9.221840595868923E-002
|
|
-7.067519312204523E-002,-2.081668171172169E-017
|
|
0.000000000000000E+000,-7.533624974559638E-002
|
|
-1.068182410966971E-001, 6.938893903907228E-018
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.348594246565125E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
-2.638097425904899E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
2.436788550057826E-001, 3.252606517456513E-019
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
-2.638097425904899E-002, 0.000000000000000E+000
|
|
-2.775557561562891E-017,-1.314763864341544E-002
|
|
2.348594246565125E-001, 0.000000000000000E+000
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.6>
|
|
<DYNAMICAL_MAT_.7>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
5.000000000000000E-001 5.000000000000000E-001 0.000000000000000E+000
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
-1.659487263362046E-017, 1.068182410966971E-001
|
|
-5.726533330396433E-018,-7.067519312204523E-002
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
-1.116070298200845E-017,-7.067519312204523E-002
|
|
-2.202904228523248E-017, 1.068182410966971E-001
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
-1.116070298200845E-017, 1.083445034621516E-001
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
-1.659487263362046E-017,-1.068182410966971E-001
|
|
-5.726533330396433E-018, 7.067519312204523E-002
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
-1.116070298200845E-017, 7.067519312204523E-002
|
|
-2.202904228523248E-017,-1.068182410966971E-001
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
-1.116070298200845E-017,-1.083445034621516E-001
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.348594246565125E-001,-1.626303258728257E-019
|
|
2.638097425904898E-002,-1.626303258728257E-019
|
|
1.387778780781446E-017, 1.314763864341544E-002
|
|
2.638097425904898E-002,-1.626303258728257E-019
|
|
2.348594246565125E-001,-1.626303258728257E-019
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
1.387778780781446E-017,-1.314763864341544E-002
|
|
1.387778780781446E-017,-1.314763864341544E-002
|
|
2.436788550057826E-001,-1.626303258728257E-019
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.7>
|
|
<DYNAMICAL_MAT_.8>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
-5.000000000000000E-001 -5.000000000000000E-001 0.000000000000000E+000
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
-2.717084326335344E-018,-1.068182410966971E-001
|
|
8.151252979006031E-018, 7.067519312204523E-002
|
|
-9.221840595868921E-002, 2.775557561562891E-017
|
|
2.717084326335344E-018, 7.067519312204523E-002
|
|
-8.151252979006031E-018,-1.068182410966971E-001
|
|
-9.221840595868921E-002, 2.775557561562891E-017
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
2.717084326335344E-018,-1.083445034621516E-001
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
-2.717084326335344E-018, 1.068182410966971E-001
|
|
8.151252979006031E-018,-7.067519312204523E-002
|
|
-7.533624974559638E-002,-2.775557561562891E-017
|
|
2.717084326335344E-018,-7.067519312204523E-002
|
|
-8.151252979006031E-018, 1.068182410966971E-001
|
|
-7.533624974559638E-002,-2.775557561562891E-017
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
2.717084326335344E-018, 1.083445034621516E-001
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.348594246565125E-001, 1.626303258728257E-019
|
|
2.638097425904898E-002, 1.626303258728257E-019
|
|
1.387778780781446E-017,-1.314763864341544E-002
|
|
2.638097425904898E-002, 1.626303258728257E-019
|
|
2.348594246565125E-001, 1.626303258728257E-019
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
1.387778780781446E-017, 1.314763864341544E-002
|
|
1.387778780781446E-017, 1.314763864341544E-002
|
|
2.436788550057826E-001, 1.626303258728257E-019
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.8>
|
|
<DYNAMICAL_MAT_.9>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
-5.000000000000000E-001 5.000000000000000E-001 0.000000000000000E+000
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711033E-002
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
-1.068182410966971E-001,-1.387778780781446E-017
|
|
-7.067519312204523E-002, 1.387778780781446E-017
|
|
0.000000000000000E+000,-9.221840595868923E-002
|
|
-7.067519312204523E-002, 6.938893903907228E-018
|
|
-1.068182410966971E-001,-2.081668171172169E-017
|
|
0.000000000000000E+000, 9.221840595868920E-002
|
|
0.000000000000000E+000,-7.533624974559638E-002
|
|
0.000000000000000E+000, 7.533624974559638E-002
|
|
-1.083445034621516E-001,-2.775557561562891E-017
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
-1.068182410966971E-001, 1.387778780781446E-017
|
|
-7.067519312204523E-002,-1.387778780781446E-017
|
|
0.000000000000000E+000, 7.533624974559637E-002
|
|
-7.067519312204523E-002,-2.081668171172169E-017
|
|
-1.068182410966971E-001, 6.938893903907228E-018
|
|
0.000000000000000E+000,-7.533624974559640E-002
|
|
0.000000000000000E+000, 9.221840595868921E-002
|
|
0.000000000000000E+000,-9.221840595868921E-002
|
|
-1.083445034621516E-001, 2.775557561562891E-017
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.348594246565124E-001, 1.084202172485504E-019
|
|
-2.638097425904899E-002,-1.084202172485504E-019
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
-2.638097425904899E-002,-1.084202172485504E-019
|
|
2.348594246565125E-001, 1.084202172485504E-019
|
|
2.775557561562891E-017,-1.314763864341544E-002
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
2.436788550057826E-001, 1.084202172485504E-019
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.9>
|
|
<DYNAMICAL_MAT_.10>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
5.000000000000000E-001 0.000000000000000E+000 -5.000000000000000E-001
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711033E-002
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
-1.068182410966971E-001,-1.387778780781446E-017
|
|
0.000000000000000E+000, 9.221840595868921E-002
|
|
-7.067519312204523E-002, 1.387778780781446E-017
|
|
0.000000000000000E+000, 7.533624974559638E-002
|
|
-1.083445034621516E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000,-7.533624974559638E-002
|
|
-7.067519312204523E-002, 2.081668171172169E-017
|
|
0.000000000000000E+000,-9.221840595868921E-002
|
|
-1.068182410966971E-001,-6.938893903907228E-018
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
-1.068182410966971E-001, 1.387778780781446E-017
|
|
0.000000000000000E+000,-7.533624974559638E-002
|
|
-7.067519312204523E-002,-1.387778780781446E-017
|
|
0.000000000000000E+000,-9.221840595868921E-002
|
|
-1.083445034621516E-001, 2.775557561562891E-017
|
|
0.000000000000000E+000, 9.221840595868921E-002
|
|
-7.067519312204523E-002,-6.938893903907228E-018
|
|
0.000000000000000E+000, 7.533624974559638E-002
|
|
-1.068182410966971E-001, 2.081668171172169E-017
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.348594246565125E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
-2.638097425904899E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
2.436788550057826E-001,-3.252606517456513E-019
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
-2.638097425904899E-002, 0.000000000000000E+000
|
|
-2.775557561562891E-017, 1.314763864341544E-002
|
|
2.348594246565125E-001, 0.000000000000000E+000
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.10>
|
|
<DYNAMICAL_MAT_.11>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
0.000000000000000E+000 5.000000000000000E-001 5.000000000000000E-001
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
0.000000000000000E+000,-1.745573751711033E-002
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
1.847953584088530E-002, 0.000000000000000E+000
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
-1.387778780781446E-017, 1.083445034621516E-001
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
-7.533624974559640E-002, 0.000000000000000E+000
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
-6.938893903907228E-018, 1.068182410966971E-001
|
|
-2.081668171172169E-017,-7.067519312204523E-002
|
|
-9.221840595868923E-002, 0.000000000000000E+000
|
|
-2.081668171172169E-017,-7.067519312204523E-002
|
|
-1.387778780781446E-017, 1.068182410966971E-001
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
-1.387778780781446E-017,-1.083445034621516E-001
|
|
-9.221840595868921E-002, 0.000000000000000E+000
|
|
-9.221840595868920E-002, 0.000000000000000E+000
|
|
-7.533624974559638E-002, 0.000000000000000E+000
|
|
-2.081668171172169E-017,-1.068182410966971E-001
|
|
-6.938893903907228E-018, 7.067519312204523E-002
|
|
-7.533624974559637E-002, 0.000000000000000E+000
|
|
-6.938893903907228E-018, 7.067519312204523E-002
|
|
-1.387778780781446E-017,-1.068182410966971E-001
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.436788550057826E-001, 1.626303258728257E-019
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
0.000000000000000E+000,-1.314763864341544E-002
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
2.348594246565125E-001, 1.626303258728257E-019
|
|
2.638097425904899E-002,-1.626303258728257E-019
|
|
0.000000000000000E+000, 1.314763864341544E-002
|
|
2.638097425904899E-002,-1.626303258728257E-019
|
|
2.348594246565125E-001, 1.626303258728257E-019
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.11>
|
|
<DYNAMICAL_MAT_.12>
|
|
<Q_POINT type="real" size="3" columns="3">
|
|
0.000000000000000E+000 5.000000000000000E-001 -5.000000000000000E-001
|
|
</Q_POINT>
|
|
<PHI.1.1 type="complex" size="9">
|
|
2.314294727672103E-001, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
0.000000000000000E+000,-1.745573751711034E-002
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
0.000000000000000E+000, 1.745573751711034E-002
|
|
-1.847953584088530E-002, 0.000000000000000E+000
|
|
2.197369681784414E-001, 0.000000000000000E+000
|
|
</PHI.1.1>
|
|
<PHI.1.2 type="complex" size="9">
|
|
-1.083445034621516E-001,-1.387778780781446E-017
|
|
0.000000000000000E+000, 7.533624974559638E-002
|
|
0.000000000000000E+000,-7.533624974559638E-002
|
|
0.000000000000000E+000, 9.221840595868921E-002
|
|
-1.068182410966971E-001,-1.387778780781446E-017
|
|
-7.067519312204525E-002, 1.387778780781446E-017
|
|
0.000000000000000E+000,-9.221840595868921E-002
|
|
-7.067519312204523E-002, 1.387778780781446E-017
|
|
-1.068182410966971E-001,-1.387778780781446E-017
|
|
</PHI.1.2>
|
|
<PHI.2.1 type="complex" size="9">
|
|
-1.083445034621516E-001, 1.387778780781446E-017
|
|
0.000000000000000E+000,-9.221840595868921E-002
|
|
0.000000000000000E+000, 9.221840595868921E-002
|
|
0.000000000000000E+000,-7.533624974559638E-002
|
|
-1.068182410966971E-001, 1.387778780781446E-017
|
|
-7.067519312204525E-002,-1.387778780781446E-017
|
|
0.000000000000000E+000, 7.533624974559638E-002
|
|
-7.067519312204523E-002,-1.387778780781446E-017
|
|
-1.068182410966971E-001, 1.387778780781446E-017
|
|
</PHI.2.1>
|
|
<PHI.2.2 type="complex" size="9">
|
|
2.436788550057826E-001,-1.626303258728257E-019
|
|
-1.387778780781446E-017, 1.314763864341544E-002
|
|
1.387778780781446E-017,-1.314763864341544E-002
|
|
-1.387778780781446E-017,-1.314763864341544E-002
|
|
2.348594246565125E-001,-1.626303258728257E-019
|
|
-2.638097425904896E-002, 1.626303258728257E-019
|
|
1.387778780781446E-017, 1.314763864341544E-002
|
|
-2.638097425904896E-002, 1.626303258728257E-019
|
|
2.348594246565124E-001,-1.626303258728257E-019
|
|
</PHI.2.2>
|
|
</DYNAMICAL_MAT_.12>
|
|
<FREQUENCIES_THZ_CMM1>
|
|
<OMEGA.1 type="real" size="2" columns="2">
|
|
2.514956200400154E+000 8.388990894494597E+001
|
|
</OMEGA.1>
|
|
<DISPLACEMENT.1 type="complex" size="6">
|
|
5.674646513435241E-017,-4.869490286569267E-001
|
|
-1.180095181740788E-015,-3.490336764053152E-016
|
|
3.117470760724516E-016, 4.869490286569261E-001
|
|
5.127188737408398E-001,-1.524364537668768E-016
|
|
4.586477380220743E-016,-9.770643776378341E-016
|
|
-5.127188737408410E-001, 0.000000000000000E+000
|
|
</DISPLACEMENT.1>
|
|
<OMEGA.2 type="real" size="2" columns="2">
|
|
3.827334907127703E+000 1.276661505316356E+002
|
|
</OMEGA.2>
|
|
<DISPLACEMENT.2 type="complex" size="6">
|
|
-8.827080667657347E-016,-2.462739984936645E-001
|
|
-6.051376586219773E-001, 1.987194352246407E-015
|
|
-1.584390973895651E-015,-2.462739984936663E-001
|
|
-2.280585681998483E-001, 5.976806861264206E-016
|
|
-3.119177863707247E-015,-6.391284912994150E-001
|
|
-2.280585681998465E-001, 0.000000000000000E+000
|
|
</DISPLACEMENT.2>
|
|
<OMEGA.3 type="real" size="2" columns="2">
|
|
5.424828803141682E+000 1.809528111324829E+002
|
|
</OMEGA.3>
|
|
<DISPLACEMENT.3 type="complex" size="6">
|
|
3.983390633584057E-016, 2.688567302852646E-001
|
|
-2.852742768672166E-001,-7.039872852006091E-016
|
|
3.848429266059475E-016, 2.688567302852640E-001
|
|
-5.488133159298190E-001,-1.423034211500115E-016
|
|
1.199625881467625E-015, 4.143170194847824E-001
|
|
-5.488133159298186E-001, 0.000000000000000E+000
|
|
</DISPLACEMENT.3>
|
|
<OMEGA.4 type="real" size="2" columns="2">
|
|
1.071914372508305E+001 3.575521477956278E+002
|
|
</OMEGA.4>
|
|
<DISPLACEMENT.4 type="complex" size="6">
|
|
-8.134850707974230E-014,-6.535017335663122E-001
|
|
-2.729965613000585E-001, 3.674710275498339E-014
|
|
-9.061655588997498E-014,-6.535017335662596E-001
|
|
1.091598255323357E-002,-3.086084234955327E-015
|
|
3.532760152444774E-014, 2.666561992901273E-001
|
|
1.091598255325163E-002,-0.000000000000000E+000
|
|
</DISPLACEMENT.4>
|
|
<OMEGA.5 type="real" size="2" columns="2">
|
|
1.073764981046452E+001 3.581694443582207E+002
|
|
</OMEGA.5>
|
|
<DISPLACEMENT.5 type="complex" size="6">
|
|
-4.472277743160384E-015, 6.690569433454391E-001
|
|
-9.069675444039430E-015, 2.070281279237361E-015
|
|
-4.989003991204470E-015,-6.690569433454948E-001
|
|
2.288292082781839E-001,-1.305858306434066E-016
|
|
1.870008313376406E-015, 1.078414814633843E-014
|
|
-2.288292082781842E-001, 0.000000000000000E+000
|
|
</DISPLACEMENT.5>
|
|
<OMEGA.6 type="real" size="2" columns="2">
|
|
1.130287466197590E+001 3.770233159760109E+002
|
|
</OMEGA.6>
|
|
<DISPLACEMENT.6 type="complex" size="6">
|
|
4.810915856183617E-016,-2.572905569683093E-001
|
|
8.926873399765936E-001,-1.675883207916411E-016
|
|
6.733394831858847E-016,-2.572905569683058E-001
|
|
-1.708548905905471E-001,-1.817085811561019E-017
|
|
-2.962174048686188E-016,-1.110390217805200E-001
|
|
-1.708548905905460E-001, 0.000000000000000E+000
|
|
</DISPLACEMENT.6>
|
|
</FREQUENCIES_THZ_CMM1>
|
|
</Root>
|
|
|