Dear Peter, may I suggest that by default, the inst file that is created has not magnetic moment for the atoms. I know it takes time to change the generation of the inst file but it can be convenient. If you are not familiar with SP calculations and just define the magnetic moment on metal atoms, you can start your first SCF calculation with a huge magnetic moment in the unit cell just because a moment is created on all the other atoms.It increase a lot the time for SCF if you don't care. It will be easier in fact to only define the magnetic moment for the atom you are interested in (one or two sites into the unit cell) instead of remove all the magnetic moment for all the other atoms of the cell. Regards Florent
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