[Pw_forum] magnetic anisotropy calculation using fully-relativistic PPs

[Youssef]

Dear Yun-Peng,

Generally non-collinear calculation is hardest to converge, but I can't 
figure it out without knowing your physical system nor without a 
complete scf file.

But firstly,  you should reduce your mixing factor instead of increase 
it , start with   mixing_beta = 0.1 and compare.

Youssef Aharbil,
Laboratory of Physics and Chemistry of Materials
Faculty of sciences Ben msik, Casablanca
Morocco






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