[QE-users] problem computing cholesky

[Paolo Giannozzi]

On Thu, Jul 5, 2018 at 9:00 AM, BARRETEAU Cyrille <cyrille.barreteau at cea.fr>
wrote:

>
> I have another question related to the restarting nscf from previous scf
> scalar relativistic.
> In the new version of qe (6.2.1) I got a warning message: "some spin
> components not found".
> Should I worry about this message?
>

no, it is the expected behavior: a warning is issued because you are
reading LSDA data in a noncolinear calculation.

The Cholesky problem is old and well known. Practical solutions are
unfortunately less well known...

Paolo


Thanks
Cyrille



========================
*Cyrille Barreteau*
CEA Saclay, IRAMIS, SPEC Bat. 771
91191 Gif sur Yvette Cedex, FRANCE
~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+33 1 69 08 38 56 /+33  6 47 53 66 52  (mobile)
email:     cyrille.barreteau at cea.fr
Web:     http://iramis.cea.fr/Pisp/cyrille.barreteau/
========================

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-- 
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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