I have problem when I refined the fraction site occupancy for 3 atoms, Fe, Co and Ti. The result shows negative occupancy for nonsense numbers. What I did , added constrain
Fe1+Co1+Ti1=1
Fe2+Co2+Ti2=1
Fe3+Co3+Ti3=1
Fe4+Co4+Ti4=1
Fe5+Co5+Ti5=1
Also I tried to set upper and lower limit , calculate >> view LS parm >> phase >> fractions add min value=0 and max value=1. then refine, I still have negative value for some sites example for
Fe1=-1.2626
Co1= -1.59095
Ti1= 3.7721
any trick to force the refine the value to be in range of limit ??
Thanks