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

From VASP Wiki
No edit summary
No edit summary
Line 3: Line 3:
----
----
*{{TAG|INCAR}}
*{{TAG|INCAR}}
<pre>
{{TAGBL|SYSTEM}}       = Fe (100) monolayer
SYSTEM        = Fe (100) monolayer
{{TAGBL|ISTART}}       = 0
ISTART        = 0
{{TAGBL|ENCUT}}         = 270.00
ENCUT        = 270.00
{{TAGBL|LNONCOLLINEAR}} = .TRUE.
LNONCOLLINEAR = .TRUE.
{{TAGBL|MAGMOM}}       = 0.0 0.0 3.0
MAGMOM        = 0.0 0.0 3.0
{{TAGBL|VOSKOWN}}       = 1
VOSKOWN      = 1
{{TAGBL|LSORBIT}}       = .TRUE.
LSORBIT      = .TRUE.
     
 
{{TAGBL|LMAXMIX}}       = 4
LMAXMIX      = 4
</pre>


*{{TAG|KPOINTS}}
*{{TAG|KPOINTS}}
Line 35: Line 33:
   .00000  .00000  .00000
   .00000  .00000  .00000
</pre>
</pre>
== Used INCAR Tags ==
{{TAG|ENCUT}}, {{TAG|ISTART}}, {{TAG|LMAXMIX}}, {{TAG|LNONCOLLINEAR}}, {{TAG|LSORBIT}}, {{TAG|MAGMOM}}, {{TAG|SYSTEM}}, {{TAG|VOSKOWN}}


== Download ==
== Download ==

Revision as of 11:35, 15 March 2017

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


SYSTEM        = Fe (100) monolayer
ISTART        = 0
ENCUT         = 270.00
LNONCOLLINEAR = .TRUE.
MAGMOM        = 0.0 0.0 3.0
VOSKOWN       = 1
LSORBIT       = .TRUE.
     
LMAXMIX       = 4
k-points
 0
Monkhorst-Pack
9 9 1
0 0 0
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