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

Revision as of 10:59, 13 June 2017

Overview > fcc Ni (revisited) > NiO > NiO LSDA+U > Spin-orbit coupling in a Ni monolayer > Spin-orbit coupling in a Fe monolayer >constraining local magnetic moments > List of tutorials

Task

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

Input

POSCAR

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

INCAR

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

Initialization of moment along z-direction (out of plane) (MAGMOM = 0.0 0.0 1.0).
Spin-orbit interaction switched on (LSORBIT=.TRUE.).
For the second calculation, switch to in-plane magnetization by setting MAGMOM = 1.0 0.0 0.0 in the INCAR file.

KPOINTS

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

Calculation

Download

4_4_SOI_Ni.tgz

To the list of examples or to the main page

@@ Line 33: / Line 33: @@
 *Initialization of moment along z-direction (out of plane) ({{TAG|MAGMOM}} = 0.0 0.0 1.0).
 *Spin-orbit interaction switched on ({{TAG|LSORBIT}}=''.TRUE.'').
+*For the second calculation, switch to in-plane magnetization by setting {{TAG|MAGMOM}} = 1.0 0.0 0.0 in the {{TAG|INCAR}} file.
 === {{TAG|KPOINTS}} ===