[Wien] Valence_Configuration_in_d-shell

[Stefaan Cottenier]

> How can I calculate the 3 configurations (LS, IS and HS) of d-shell of "Co" in LaCoO3 with FSM,
>
> Please provide me the input configuration in case.inst.

Run the fixed spin moment calculation with several steadily increasing 
values of the fixed moment, i.e.

runfsm_lapw -m 0.00
runfsm_lapw -m 0.25
runfsm_lapw -m 0.50
runfsm_lapw -m 0.75
runfsm_lapw -m 1.00
...

(the step size can be adjusted according to the details of the case). 
Plot :ENE as a function of the fixed moment. If there really are several 
spin solution, they will show as local minima (or plateaus) in this 
E(M)-curve.

Stefaan