[Pw_forum] questions about PWCOND

[Alex Smogunov]

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

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