The error message "can not open unit 18" seems incomplete. I can only guess that maybe you mixed a non-spin polarized and spin polarized run.
See: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-June/013366.html You can also find some other posts on the "unit 18" error by older archives search at: http://www.wien2k.at/reg_user/mailing_list/ On 5/20/2012 3:39 PM, Mouna Mesbahi wrote: > hello; > Please I have a system in which I have a nickel atom (transition > material) in the optimization stage I afffiche error in lapw1 (can not > open unit 18) how to solve this problem please > thank you in advance > cordially mouna > > *De :* Mouna Mesbahi <mouna.mesbahi at yahoo.fr> > *? :* "wien at zeus.theochem.tuwien.ac.at" <wien at > zeus.theochem.tuwien.ac.at> > *Envoy? le :* Vendredi 20 janvier 2012 13h36 > *Objet :* > > I have already tried the dituted semicondictors please i want to ask > you if it is obliged to pass by the generation of supercelle to add > the impurity > thank you in advance > cordially mouna Mesbahi > > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120520/73444443/attachment-0001.htm>
