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

Revision as of 10:09, 17 February 2017

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

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

@@ Line 2: / Line 2: @@
 ----
-*INCAR
+*{{TAG|INCAR}}
 <pre>
 SYSTEM        = Fe (100) monolayer
@@ Line 15: / Line 15: @@
 </pre>
-*KPOINTS
+*{{TAG|KPOINTS}}
 <pre>
 k-points
@@ Line 24: / Line 24: @@
 </pre>
-*POSCAR
+*{{TAG|POSCAR}}
 <pre>
 fcc Fe 100 surface
@@ Line 35: / Line 35: @@
     .00000   .00000   .00000
 </pre>
+== Used INCAR Tags ==
+{{TAG|ENCUT}}, {{TAG|ISTART}}, {{TAG|LMAXMIX}}, {{TAG|LNONCOLLINEAR}}, {{TAG|LSORBIT}}, {{TAG|MAGMOM}}, {{TAG|SYSTEM}}, {{TAG|VOSKOWN}}
 == Download ==
 [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]]
 [[Category:Examples]]