[Wien] help for volume optimization for spin polarization cases

[Hao Zhu]

Hello, everyone:

I got trouble every time when I optimize the volume
for spin polarization cases. I am using WIEN2k-04. I
follow the steps of optimizing volume, set -20, -15,
-10, -5, 0, 5, 10, 15, 20. uncomment and replace the
"x dstart" in the optimize.job by "x dstart -up" and
"x dstart -dn". replace the "run_lapw -ec 0.0001" by
"runsp_lapw -cc 0.00001". But it always stops after
first SCF with a "mixer error". Is there something I
missed or extra attention I should pay for spin
polarized case. Thank you for your comments.

Hao Zhu

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