[QE-users] Manganese non colinear magnetization SCF calculation is not converging

[Mashroor Nitol]

Dear QE users:

I wanted to calcualted non colinear magnetization of alpha manganese. But
even after 300 iterations the system is not converged. Can anyone suggest
some possible solution and reason behind that? I used both ultra soft and
PAW pseudo potential but the converging problem did not solved since the
estimated self-accuracy is much higher.

I have attached the input and output here.

Thanks,

Mash

________________

*Mashroor Shafat Nitol*
Graduate Research Assistant
Center of Advanced Vehicular System
Mississippi State University
Starkville, MS 39759
Contact: 210-986-7308
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