Fcc Ni (revisited): Difference between revisions

Revision as of 11:29, 5 June 2012

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

Revision as of 11:28, 5 June 2012 (view source) Mmars (talk \| contribs) (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…')		Revision as of 11:29, 5 June 2012 (view source) Mmars (talk \| contribs) No edit summary Newer edit →
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	Description: spin polarized fcc Ni.		Description: spin polarized fcc Ni, a ferromagnet.

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