Fcc Ni (revisited): Difference between revisions

Revision as of 13:48, 17 May 2017

Calculation of spin-polarized fcc Ni, a ferromagnet.

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

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

@@ Line 1: / Line 1: @@
-Description: spin polarized fcc Ni, a ferromagnet.
+{{Template:Magnetism}}
-----
+== Task ==
-*{{TAG|INCAR}}
+Calculation of spin-polarized fcc Ni, a ferromagnet.
+== Input ==
+=== {{TAG|POSCAR}} ===
+<pre>
+fcc:
+ -10.93
+.5 0.5 0.0
+.0 0.5 0.5
+.5 0.0 0.5
+Cartesian
+0 0
+</pre>
+=== {{TAG|INCAR}} ===
   {{TAGBL|SYSTEM}}  = Ni fcc bulk
@@ Line 12: / Line 29: @@
   {{TAGBL|LORBIT}}  = 11
-*{{TAG|KPOINTS}}
+=== {{TAG|KPOINTS}} ===
 <pre>
 k-points
@@ Line 21: / Line 38: @@
 </pre>
-*{{TAG|POSCAR}}
+== Calculation ==
-<pre>
-fcc:
- -10.93
-.5 0.5 0.0
-.0 0.5 0.5
-.5 0.0 0.5
-Cartesian
-0 0
-</pre>
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