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[ÇóÖú] ÏÞÖÆ´Å¾Ø·½ÏòConstraining the direction of magnetic moments

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CODE:
I_CONSTRAINED_M=1
ISPIN=2
MAGMOM=3 -3

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CODE:
DAV:   8    NaN                    NaN           -0.12466E+01 14352   0.575E+00    0.793E+00

E_p =  NaN          lambda =  0.000E+00
=  NaN
DBL =  NaN
ion        MW_int                 M_int
  1  0.000  0.000  0.000    0.000  0.000  0.000
  2  0.000  0.000  0.000      NaN  0.000  0.000

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