If you already happy with your final structures, and want to go ahead with your scf calculations (required anyways), then maybe NO. However, if you want to restart the calculations, YES.
On Thu, Mar 23, 2017 at 3:37 PM, Nkosinathi Malaza <[email protected]> wrote: > Hi All, > > The files from 'outdir' are they important after relaxation? > > Best, > N.M > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Dr. Mousumi UPADHYAY KAHALY Group Leader Computational and Applied Materials Science Group ELI-HU Nonprofit Kft. HQ: H-6720 Szeged, Dugonics tér 13. Office: H-6722 Szeged, Tisza Lajos krt. 85-87. E-mail: [email protected] Website: www.eli-alps.hu
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
