Dear WIEN2k,
I am working on magnetic compound. For my system i got
total magnetic moment 1.95 bohr magneton. Now i want to do fixed spin
moment calculations.
My quires are
1). To do fixed spin moment calculations, first i have to initiate the
calculations in spin polarized case after that i have to give the run
command like "runfsm_lapw -m 1.95 -ec 0.000001".
Is it correct way or give any suggestions?
2). To check weather this magnetic moment is correct or not i have to take
different magnetic moment values like 0.5, 1.0, 1.5, 2.0, 2.5, 3.0. For all
the values i have to run scf and check the total energy for each fsm value.
After this i have to plot total energy verses magnetic moment values. In
this plot where i get the minimum energy for a particular fsm value, that
magnetic moment value i should have to consider.
Is this correct procedure?
Please suggest me further.
Thank you very much in advance.
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