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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Hey, guys:
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<div>I have a question about the MSR1a calculation. Earlier, I did a fix spin momentum calculation. As Peter mentioned, runfsm_lapw doesn't have a support for -min flag so that it won't stop according to the force convergence we gave it. But just due to this
issue, I achieved a extremely small force convergence(less than 0.0001 mRy/a.u.) after hundreds of cycles(it will run forever as long as I don't stop them). </div>
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<div>And in the same case but using runsp_lapw, I used MSR1a mode and set the force convergence to 0.01 mRy/a.u. It will stop at around 1 mRy/a.u. after only 30 cycles. I'm confused about the stop criteria of runsp_lapw. <span style="font-size: 10pt;">I believe
it should be able to reach such a extremely small force convergence as well. However</span><span style="font-size: 10pt;"> it just stops before reaching the target convergence... </span></div>
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<div><span style="font-size: 10pt;">Can anyone give me some ideas? I appreciate any comments and suggestions. </span><span style="font-size: 10pt;">If this is a case-by-case problem and more information is needed, I'll post my data later.</span></div>
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<div><span style="font-size: 10pt;">thanks in advance.</span></div>
<div><span style="font-size: 10pt;">Wenhao </span></div>
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