Ferromagnetic calculation of Ni
a=b=c= 6.7 bohr
alpha=betha=gama= 90
Ni(0,0,0)
Rmt=2.3
k.points= 3000
alpha=betha=gama= 90
Ni(0,0,0)
Rmt=2.3
k.points= 3000
The other values:The default values
The values given by the userguide:
MMINT= -0.03130
MMI001= 0.66198
MMTOT= 0.63068
The values found with the using of the version 2008 of wien2k are:
MMI001= 0.65886
MMTOT= 0.63137
ENE= -3041.6518 Ry
Note: MMTOT= MMINT+MMI001
MMINT: Magnetic moment in the interstitiel region
MMI001: Magnetic moment in the sphere 1 (here, there is one sphere)
MMTOT: Magnetic moment in the unit cell
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