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Fcc Ni (revisited)

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Revision as of 11:29, 5 June 2012 by Mmars (talk | contribs)
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Description: spin polarized fcc Ni, a ferromagnet.


  • INCAR
SYSTEM  = Ni fcc bulk 
ISTART  = 0
ISPIN   = 2
MAGMOM  = 1.0
ISMEAR  = -5
VOSKOWN = 1
LORBIT  = 11
  • KPOINTS
k-points
0
Gamma
 11 11 11
  0  0  0
  • POSCAR
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

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4_1_Ni.tgz


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