shuaili
Hi all
I'm doing charge flipping to solve some structure but I'm having problem output the electron cloud map that GUI shows me.
I tried to use the .FC file to do the Fourier synthesis in VESTA, which needs hkl, |Fo|, |Fc|, Fcal(real), Fcal(img), and SigmaF. I assumed the .FC gives the hkl and Fcal(real) and Fcal(img), and calculated |Fc|. I put 0 in |Fo| and let SigmaF=|Fc|-|Fo|. But the outcome is far from what is shown in the GUI of Topas.
How can I get the electron cloud map in the GUI during the charge flipping and visualize it in VESTA?
Thanks
Shuai