[Wien] Slab convergence
Maxim Rakitin
rms85 at physics.susu.ac.ru
Mon Sep 20 09:22:25 CEST 2010
Dear Laurence,
Is *-noHinv* iterative mode available in WIEN2k 8 or 9? I don't see such
option in 'runsp_lapw -h' list. There are only *-in* and *-in0* modes.
I'd like to try the mode you suggested.
Thanks.
Best regards,
Maxim Rakitin
Postgraduate student
South Ural State University,
76 Lenin av., Chelyabinsk, Russia, 454080
Email: rms85 at physics.susu.ac.ru
Web: http://www.susu.ac.ru
14.09.2010 20:00, Laurence Marks пишет:
> TETRA is a bit noisy, particularly for metals. Iterative mode is much
> faster and almost as accurate. I prefer -noHinv, others may prefer the
> alternative iterative mode.
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