mirror of https://github.com/abinit/abinit.git
44 lines
1.3 KiB
XML
44 lines
1.3 KiB
XML
<?xml version="1.0"?>
|
|
<System_definition>
|
|
<unit_cell units="bohrradius">
|
|
1.88973e+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>
|
|
<spin_exchange_list units="eV">
|
|
<nterms>6</nterms>
|
|
<spin_exchange_term>
|
|
<ijR>1 1 0 -1 0</ijR>
|
|
<data>0.01875 0.01875 0.01875</data>
|
|
</spin_exchange_term>
|
|
<spin_exchange_term>
|
|
<ijR>1 1 1 0 0</ijR>
|
|
<data>0.01875 0.01875 0.01875</data>
|
|
</spin_exchange_term>
|
|
<spin_exchange_term>
|
|
<ijR>1 1 0 1 0</ijR>
|
|
<data>0.01875 0.01875 0.01875</data>
|
|
</spin_exchange_term>
|
|
<spin_exchange_term>
|
|
<ijR>1 1 0 0 1</ijR>
|
|
<data>0.01875 0.01875 0.01875</data>
|
|
</spin_exchange_term>
|
|
<spin_exchange_term>
|
|
<ijR>1 1 -1 0 0</ijR>
|
|
<data>0.01875 0.01875 0.01875</data>
|
|
</spin_exchange_term>
|
|
<spin_exchange_term>
|
|
<ijR>1 1 0 0 -1</ijR>
|
|
<data>0.01875 0.01875 0.01875</data>
|
|
</spin_exchange_term>
|
|
</spin_exchange_list>
|
|
</System_definition>
|