A soc calculation on BCC Fe met convergence difficulty

[hongriTianqi]

Describe the bug

scf_nmax is set to 200. Finally drho 5.496971e-06, energy difference = 1.226634e-03 eV. The energy difference is very large.

Expected behavior

Get converged results.

To Reproduce

soc_convergence.tar.gz

Environment

No response

Additional Context

No response

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