[Pw_forum] Constrained Direction of Magnetization

[Sahar Mirshamsi]

Dear Mighfar,

Thanks for your reply.
I have some questions;
1) what does it mean "specifying the angles without
constrained_magnetization flag"? I mean I don't understand what will be 
the use of angles without constraining the magnetization and how the code 
will use it!
2) about the raidius, if that's slightly smaller than the half of the
position between two atoms, I expect it should give almost correct number
of charges for atoms, but for example for carbon atoms I'm getting
0.65! why this charge is so small?

Thanks,

-----------------------------------
Sahar Mirshamsi
Quantum Theory Project (QTP) and Physics Department,
University of Florida