[Pw_forum] electrical conductivity

[Alexandre Smogunov]

Dear Amin
What is implemented in ESPRESSO (in the PWCOND subdirectory)
is the calculation of the ballistic conductance in nanocontacts which
is actually proportinal to the total electron transmission at the Fermi 
energy (Landauer-Buttiker formula). 
The system you set up is {metal lead+scatterer+metal lead} then
you run pw.x to calculate the self-consistent potential and use further
pwcond.x to solve the scattering problem and to calculate transmission and
reflection coefficients. 

regards, Alexander Smogunov

Quoting Amin Babazadeh <babazade at gmail.com>:

> dear users
> I will appreciate if someone tell me how i can calculate electrical
> conductivity in espresso?
> thanks a lot
> sincerely yours
> 
> -- 
> AMIN
> 




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