[Pw_forum] Inconsistent results of LDA+U calculation for v6.1 and v5.4

Paolo Giannozzi p.giannozzi at gmail.com
Mon May 29 11:50:55 CEST 2017


Hi Dmitry

> But it would be great to have a hotfix for ver 6.1 that fixes this
> particular problem and do not affect any other piece of the code
> (...). I really think that bug in the LDA+U implementation is a rather
> critical issue and deserve a release of v6.1.1.

I used to release patched versions in the past, but I stopped because
it was taking too much time.

Paolo

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222



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