mirror of https://github.com/abinit/abinit.git
66 lines
2.4 KiB
XML
66 lines
2.4 KiB
XML
<?xml version="1.0"?>
|
|
<System_definition>
|
|
<unit_cell units="bohrradius">3.77945e+00 0.00000e+00 0.00000e+00
|
|
0.00000e+00 1.88973e+00 0.00000e+00
|
|
0.00000e+00 0.00000e+00 1.88973e+00</unit_cell>
|
|
<atom damping_factor="1.00000e+00" gyroratio="1.00000e+00" index_spin="1" mass="1.00800e+00" massunits="atomicmassunit">
|
|
<position units="bohrradius">0.00000e+00 0.00000e+00 0.00000e+00</position>
|
|
<spinat>0.00000e+00 1.00000e+00 0.00000e+00</spinat>
|
|
</atom>
|
|
<atom damping_factor="1.00000e+00" gyroratio="1.00000e+00" index_spin="2" mass="1.00800e+00" massunits="atomicmassunit">
|
|
<position units="bohrradius">1.88973e+00 0.00000e+00 0.00000e+00</position>
|
|
<spinat>0.00000e+00 1.00000e+00 0.00000e+00</spinat>
|
|
</atom>
|
|
<spin_exchange_list units="eV">
|
|
<nterms>4</nterms>
|
|
<spin_exchange_term units="eV">
|
|
<ijR>1 2 0 0 0</ijR>
|
|
<data>-5.00000e-03 -5.00000e-03 -5.00000e-03</data>
|
|
</spin_exchange_term>
|
|
<spin_exchange_term units="eV">
|
|
<ijR>1 2 -1 0 0</ijR>
|
|
<data>-5.00000e-03 -5.00000e-03 -5.00000e-03</data>
|
|
</spin_exchange_term>
|
|
<spin_exchange_term units="eV">
|
|
<ijR>2 1 1 0 0</ijR>
|
|
<data>-5.00000e-03 -5.00000e-03 -5.00000e-03</data>
|
|
</spin_exchange_term>
|
|
<spin_exchange_term units="eV">
|
|
<ijR>2 1 0 0 0</ijR>
|
|
<data>-5.00000e-03 -5.00000e-03 -5.00000e-03</data>
|
|
</spin_exchange_term>
|
|
</spin_exchange_list>
|
|
<spin_DMI_list units="eV">
|
|
<nterms>4</nterms>
|
|
<spin_DMI_term>
|
|
<ijR>1 2 0 0 0</ijR>
|
|
<data>0.00000e+00 0.00000e+00 2.00000e-03</data>
|
|
</spin_DMI_term>
|
|
<spin_DMI_term>
|
|
<ijR>2 1 0 0 0</ijR>
|
|
<data>-0.00000e+00 -0.00000e+00 -2.00000e-03</data>
|
|
</spin_DMI_term>
|
|
<spin_DMI_term>
|
|
<ijR>1 2 -1 0 0</ijR>
|
|
<data>0.00000e+00 -0.00000e+00 2.00000e-03</data>
|
|
</spin_DMI_term>
|
|
<spin_DMI_term>
|
|
<ijR>2 1 1 0 0</ijR>
|
|
<data>-0.00000e+00 0.00000e+00 -2.00000e-03</data>
|
|
</spin_DMI_term>
|
|
</spin_DMI_list>
|
|
<spin_uniaxial_SIA_list units="eV">
|
|
<nterms>2</nterms>
|
|
<spin_uniaxial_SIA_term>
|
|
<i>1 </i>
|
|
<amplitude>0.00000e+00</amplitude>
|
|
<direction>0.00000e+00 0.00000e+00 1.00000e+00 </direction>
|
|
</spin_uniaxial_SIA_term>
|
|
<spin_uniaxial_SIA_term>
|
|
<i>2 </i>
|
|
<amplitude>0.00000e+00</amplitude>
|
|
<direction>0.00000e+00 0.00000e+00 1.00000e+00 </direction>
|
|
</spin_uniaxial_SIA_term>
|
|
</spin_uniaxial_SIA_list>
|
|
</System_definition>
|