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

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


Revision as of 13:48, 17 May 2017

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

SYSTEM        = Ni (100) monolayer
ISTART        = 0
ENCUT         = 270.00
LNONCOLLINEAR = .TRUE.
MAGMOM        = 0.0 0.0 1.0
VOSKOWN       = 1
LSORBIT       = .TRUE.
    
LMAXMIX       = 4

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

fcc Ni 100 surface
 3.53
   .50000   .50000   .00000
  -.50000   .50000   .00000
   .00000   .00000  5.00000
  1
Cartesian
   .00000   .00000   .00000

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