I currently work on DFT based studies of BFO system in particular for the AFM calculations I have manipulated the BiFeO3(R3c) hexagonal positions and fitted it into P1 space group(30 positions), But while executing instigen_lapw the below notice popped up,

---------------------------------------------------------
Specify options for instgen_lapw
Chose atomic configurations as:
    spin up (default)
    spin dn
    no spin-polarization
selected below: chose u,d,n for each atom. (For AFM calculations you must define the proper magnetic order here !!! )
Selections with more than 20 atoms are not supported in this interface.
---------------------------------------------------------

Is it a disability of the w2web to proceed with the above settings???

If so I seek details on proceeding the calculation with the Terminal(Command Interface) ...


Regards,
KAARTHIKEYAN S
M.Sc{2014-2016}
NITT.
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