NiO Bulk with AFM spin
EXTERNAL
OPTGEOM
FULLOPTG
ENDOPT
END
28 5
1 0 3  2.  0.
1 1 3  8.  0.
1 1 3  8.  0.
1 1 3  2.  0.
1 3 3  8.  0.
8 2
1 0 3  2.  0.
1 1 3  6.  0.
99 0
END
UHF
SHRINK
8 8
ATOMSPIN
2
1 1
2 -1
FMIXING
50
MAXCYCLE
100
SPINLOCK
0 15
PPAN
END
