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

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== Task ==
== Task ==


Spin-orbit coupling (SOC) in a freestanding Fe monolayer.
Spin-orbit coupling (SOC) in a freestanding Fe monolayer. This example is carried out in total analogy to {{TAG|Spin-orbit coupling in a Ni monolayer}}.


== Input ==
== Input ==

Revision as of 12:35, 13 June 2017

Task

Spin-orbit coupling (SOC) in a freestanding Fe monolayer. This example is carried out in total analogy to Spin-orbit coupling in a Ni monolayer.

Input

POSCAR

fcc Fe 100 surface
 3.45
   .50000   .50000   .00000
  -.50000   .50000   .00000
   .00000   .00000  5.00000
  1
Cartesian
   .00000   .00000   .00000

INCAR

SYSTEM        = Fe (100) monolayer
ISTART        = 0
ENCUT         = 270.00
LNONCOLLINEAR = .TRUE.
MAGMOM        = 0.0 0.0 3.0
VOSKOWN       = 1
LSORBIT       = .TRUE.
     
LMAXMIX       = 4

KPOINTS

k-points
 0
Monkhorst-Pack
9 9 1
0 0 0

Calculation

Download

4_4_SOI_Fe.tgz

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