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! Fermi surface of ferromagnetic bcc iron. Use XCrysDen for visualisation.
! Run code and then use
! xcrysden --bxsf FERMISURF(_UP/_DN).bxsf
! to display the spin up and down Fermi surfaces.
tasks
0
102 : this generates the XCrysDen Fermi Surface .bxsf file
! 3D Fermi surface box defined in terms of reciprocal lattice vectors
plot3d
0.0 0.0 0.0 : origin (first corner)
1.0 0.0 0.0 : second corner, etc.
0.0 1.0 0.0
0.0 0.0 1.0
12 12 12 : number of points in each direction
spinpol
.true.
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
'Fe.in'
1
0.0 0.0 0.0
ngridk
4 4 4
vkloff
0.5 0.5 0.5
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