Dear Alexander Thanks for your reply. Your are right, it was just that no enough digit was print out. Now I obtain 11.6 e-7 transmission and you publish 11.82 e-7, this seems correct to me.
Best regards Virginie De : pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] De la part de Alex Smogunov Envoy? : mardi 19 avril 2011 11:14 ? : PWSCF Forum Objet : Re: [Pw_forum] questions about PWCOND Dear Virginie. 2011/4/18 TRINITE Virginie <virginie.trinite at thalesgroup.com<mailto: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<mailto: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/20110422/193df8e5/attachment-0001.htm
