Wonjae

There is one thing I don't understand. This input mommtfix 1 1 0.2304673996 0 0 1 2 -0.2304673996 0 0 1 3 -0.2304673996 0 0 1 4 0.2304673996 0 0 , isn't this supposed to constrain Y and Z component to 0? But I want these to converge to whatever the code wants. So I guess these should be above 2000?

Dear mfechner Thank you for your quick answer! So If I understood it right, the moments for atom Cl can also be set to zero? Or can I leave them empty in the new version?

Hello, I tried running LDA+SO+U with the spin moments constrained. The problem is all of the components of FSM local muffin-tin effective fields, which one can check from INFO.OUT, are zero values. I know that if a constrained component is set above 2000, its effective is supposed to be zero. But there is surely a non-zero component, whose effective field is also zero. Here is the related inputs. fsmtype 2 mommtfix 1 1 0.2304673996 4000 4000 1 2 -0.2304673996 4000 4000 1 3 -0.2304673996 4000 4000...