Spin-orbit coupling in a Fe monolayer

The printable version is no longer supported and may have rendering errors. Please update your browser bookmarks and please use the default browser print function instead.

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

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

POSCAR

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

Download

4_4_SOI_Fe.tgz

To the list of examples or to the main page