Simply edit case.inst and change the occupation until you get your desired
occupation.
However, this does not guarantee that it will lead to the HS state.
2 better ways:
For a FM solution simply use runfsm -m XX -orb and constrain the moment
to your
desired value. Once this step is done
In WIEN2k, to do ferromagnetic calculation, I need to specify the spin
configuration. However, there are only three options for each atom (-up,
-dn, -nm). In cases such as Iron whose spin configuration can be either
high-spin or low spin, how can I know the initial spin is configured
properly? I ha
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