Dear Virginie. 2011/4/18 TRINITE Virginie <virginie.trinite at thalesgroup.com>
> Dear all, > > I try to use PWCOND, and I have two questions: > > >In which units are the boundary in the input file (bdl, bds, bdr)? > > > > They are in alat units. > >I have run the two examples 12 and 22 without problem and found results in > agreement with the publications but when > > I try a more heavy system, I obtain zero conductance. > > The example that I have used, is the Magnetic Tunnel Junction given in > Alexandre Smogounov?s home page. > > The program finished normally without error or complain but all the > transmission are nearly zero. > > I didn?t check any convergence, because I want only to test the program. > Did I miss something? > > > I think it is normal since here you have a tunneling through an insulating spacer and TMR effects. The conductances should get larger if you decrease the number of isolating layers. All the best, Alexander _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110419/5833bacc/attachment.htm