Use runsp_c_lapw to obtain the non-magnetic solution (or runfsm -m xxx
when you want a low-moment FM state).
Defining just different starting configuration may or may not lead to a
desired self-consistent solution. This depends on the particular system
and the way the scf-cycle proceeds.
bothi
Search the usersguide for runfsm_lapw (fixed spin moment). Another way
to stabilize different spin configurations is to use LDA+U with
different density matrices as input and use -orbc for the first few
iterations -- see the usersguide for -orbc.
Stefaan
> Daer Wien users,
>
Daer Wien users,
I'm trying to calculate the possible low-spin and high-spin
states of La0.75Sr0.25CoO3 compound. In order to define the Low spin , I
modified the case.inst file so the up and down spin of Co d-orbitals are equal,
also for the case of high spin I put the maximum n
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