Fcc Ni (revisited): Difference between revisions

Revision as of 10:37, 15 March 2017

Description: spin polarized fcc Ni, a ferromagnet.

SYSTEM  = Ni fcc bulk 
ISTART  = 0
ISPIN   = 2
MAGMOM  = 1.0
ISMEAR  = -5
VOSKOWN = 1 
LORBIT  = 11

k-points
0
Gamma
 11 11 11
  0  0  0

fcc:                             
 -10.93    
 0.5 0.5 0.0
 0.0 0.5 0.5
 0.5 0.0 0.5
   1  
Cartesian
0 0 0

@@ Line 3: / Line 3: @@
 ----
 *{{TAG|INCAR}}
-<pre>
-SYSTEM  = Ni fcc bulk
+ {{TAGBL|SYSTEM}}  = Ni fcc bulk
-ISTART  = 0
+ {{TAGBL|ISTART}}  = 0
-ISPIN   = 2
+ {{TAGBL|ISPIN}}   = 2
-MAGMOM  = 1.0
+ {{TAGBL|MAGMOM}}  = 1.0
-ISMEAR  = -5
+ {{TAGBL|ISMEAR}}  = -5
-VOSKOWN = 1
+ {{TAGBL|VOSKOWN}} = 1
-LORBIT  = 11
+ {{TAGBL|LORBIT}}  = 11
-</pre>
 *{{TAG|KPOINTS}}
@@ Line 33: / Line 32: @@
 0 0
 </pre>
-==  Used INCAR Tags ==
-{{TAG|ISMEAR}}, {{TAG|ISPIN}}, {{TAG|ISTART}}, {{TAG|LORBIT}}, {{TAG|MAGMOM}}, {{TAG|SYSTEM}}, {{TAG|VOSKOWN}}
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