[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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