Spin-orbit coupling in a Fe monolayer: Difference between revisions

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(Created page with 'Description: Spin-orbit coupling (SOC) in a freestanding Fe monolayer. ---- *INCAR <pre> SYSTEM = Fe (100) monolayer ISTART = 0 ENCUT = 270.00 LNONCOLLINEA…')
 
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----
----
*INCAR
*{{TAG|INCAR}}
<pre>
<pre>
SYSTEM        = Fe (100) monolayer
SYSTEM        = Fe (100) monolayer
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</pre>
</pre>


*KPOINTS
*{{TAG|KPOINTS}}
<pre>
<pre>
k-points
k-points
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</pre>
</pre>


*POSCAR
*{{TAG|POSCAR}}
<pre>
<pre>
fcc Fe 100 surface
fcc Fe 100 surface
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   .00000  .00000  .00000
   .00000  .00000  .00000
</pre>
</pre>
== Used INCAR Tags ==
{{TAG|ENCUT}}, {{TAG|ISTART}}, {{TAG|LMAXMIX}}, {{TAG|LNONCOLLINEAR}}, {{TAG|LSORBIT}}, {{TAG|MAGMOM}}, {{TAG|SYSTEM}}, {{TAG|VOSKOWN}}


== Download ==
== Download ==
[http://www.vasp.at/vasp-workshop/examples/4_4_SOI_Fe.tgz 4_4_SOI_Fe.tgz]
[http://www.vasp.at/vasp-workshop/examples/4_4_SOI_Fe.tgz 4_4_SOI_Fe.tgz]
----
----
[[VASP_example_calculations|To the list of examples]] or to the [[The_VASP_Manual|main page]]
[[VASP_example_calculations|To the list of examples]] or to the [[The_VASP_Manual|main page]]


[[Category:Examples]]
[[Category:Examples]]

Revision as of 10:09, 17 February 2017

Description: Spin-orbit coupling (SOC) in a freestanding Fe monolayer.


SYSTEM        = Fe (100) monolayer
ISTART        = 0
ENCUT         = 270.00
LNONCOLLINEAR = .TRUE.
MAGMOM        = 0.0 0.0 3.0
VOSKOWN       = 1
LSORBIT       = .TRUE.

LMAXMIX       = 4
k-points
 0
Monkhorst-Pack
9 9 1
0 0 0
fcc Fe 100 surface
 3.45
   .50000   .50000   .00000
  -.50000   .50000   .00000
   .00000   .00000  5.00000
  1
Cartesian
   .00000   .00000   .00000

Used INCAR Tags

ENCUT, ISTART, LMAXMIX, LNONCOLLINEAR, LSORBIT, MAGMOM, SYSTEM, VOSKOWN

Download

4_4_SOI_Fe.tgz


To the list of examples or to the main page