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! Ferromagnetic bcc iron example. Note the small global magnetic field, which
! is needed to break spin symmetry. Check the total moment of the cell in the
! file INFO.OUT.
tasks
0
spinpol
.true.
! small magnetic field in the z-direction
bfieldc
0.0 0.0 0.01
! fairly large number of empty states required for magnetic cases
nempty
8
avec
1.0 1.0 -1.0
1.0 -1.0 1.0
-1.0 1.0 1.0
scale
2.708
sppath
'../../../species/'
atoms
1 : nspecies
'Fe.in' : spfname
1 : natoms
0.0 0.0 0.0 0.0 0.0 0.0 : atposl, bfcmt
ngridk
4 4 4
vkloff
0.5 0.5 0.5
|
