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)?
>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.
Dear Virginie.
2011/4/18 TRINITE Virginie
> 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
> ag
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 mailto:virginie.trinite at thalesgroup.com>>
Dear all,
I try to use PWCOND, and I have two questions:
>In which units are the bo
