Hi again,

using the desnue keyword, I can perform the unrestricted calculations for the periodic systems with two high-spin Fe(II) in the unit cell (desnue

. However, in the restricted low-spin calculation the scf convergence is relatively fast but in the unrestricted high-spin I cannot reach the convergence and after some cycles the energy becomes completely crazy:

| TOTAL ENERGY = -6977.7539894147 |

| TOTAL ENERGY = -6948.8891499268 |

| TOTAL ENERGY = -6966.1812162700 |

| TOTAL ENERGY = -7003.9950034516 |

| TOTAL ENERGY = -6996.5229609826 |

| TOTAL ENERGY = -6982.0301324688 |

.....

| TOTAL ENERGY = -6140.3417339576 |

| TOTAL ENERGY = -2265.1918160646 |

| TOTAL ENERGY = -2289.9961494947 |

| TOTAL ENERGY = -4836.2935906069 |

| TOTAL ENERGY = 2140.9916183059 |

| TOTAL ENERGY = 2595.2900097573 |

| TOTAL ENERGY = 2758.9662267957 |

| TOTAL ENERGY = -1287.5215532921 |

| TOTAL ENERGY = 11508.6752014039 |

| TOTAL ENERGY = 15459.9397246313

I think that I don't have geometry problems, I tried as starting geometry the one employed

for the low-spin state and also the experimental high-spin structure. I was trying many scfdamp

and scforbitalshift but there are not significant differences in the convergence.

best wishes, thanks in advance

Eliseo