Fcc Ni (revisited)

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Task

Calculation of the partial DOS of spin-polarized fcc Ni, a ferromagnet.

Input

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

INCAR

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

• Spin-polarized calculation with magnetic moment of 1.
• Interpolation scheme of Vosko, Wilk and Nusair is used (see VOSKOWN=1).
• lm-decomposed DOSCAR is created.

KPOINTS

k-points
0
Gamma
 11 11 11
  0  0  0

Download

4_1_Ni.tgz

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