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Difference between revisions of "Fcc Ni (revisited)"

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(Created page with 'Description: spin polarized fcc Ni. ---- *INCAR <pre> SYSTEM = Ni fcc bulk ISTART = 0 ISPIN = 2 MAGMOM = 1.0 ISMEAR = -5 VOSKOWN = 1 LORBIT = 11 </pre> *KPOINTS <pre> k…')
 
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Description: spin polarized fcc Ni.
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Description: spin polarized fcc Ni, a ferromagnet.
  
 
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Revision as of 11:29, 5 June 2012

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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