I don't think you need anything more.

As one caveat, the default save_lapw deletes the case.broyd* files so you
will need to wait for the multisecant matrix to be reestablished before the
calculation makes much progress, i.e. 4-8 iterations.

Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Jan 20, 2016 06:39, "Luis Ogando" <lcoda...@gmail.com> wrote:

> Dear Wien2k community,
>    Just a quick question : considering that I am using MSR1a for an
> optimization and I want to add more scf cycles using restore_lapw for a
> previous optimization that did not converge but it was saved using
> save_lapw, the default parameters for these commands are good enough or
> should I include (and restore) any extra file in the "saved" directory ?
>    All the best,
>                    Luis
Wien mailing list

Reply via email to