[Wien] Convergence: fixed-spin-moment or not?

[L. D. Marks]

A simple question. I'm running an optimization where I know the magnetic
moment is 4, a big system so its taking days (and days). Does anyone know
if the convergence (in a run??_lapw cycle) is faster with runsp_lapw or
runfsm_lapw -m 4. (The result with runsp_lapw is always 4+/-delta.)

I tried hunting for an answer in the UG and mailing list but could not
find one; my apologies if it is already there.

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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
mailto:L-marks at northwestern.edu
http://www.numis.northwestern.edu
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