On Thu, Jul 5, 2018 at 9:00 AM, BARRETEAU Cyrille <[email protected]> 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: [email protected] Web: http://iramis.cea.fr/Pisp/cyrille.barreteau/ ======================== _______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users -- 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
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
