[Pw_forum] Confusion between PWCOND and WANT

[Andrea Ferretti]

Dear Hai-Ping,

> Basically, both PWCOND and WANT  are post-process tools for  analyzing
> conductance and complex bandstructure. Is it right ?
> While i donot know much the differenc between them, though i read some
> seminal papers about MLWFs and NEGF techniques used in WanT  package.   
>

a small aside note:
the complex band structure calculation is performed only by PWCOND, which 
then solves the scattering problem for the system under study and 
evaluates the transmittance (as you can find better explained in the papers cited by 
Andrea).
WanT solves the same problem but using the "maximally localized" Wannier 
function basis + a matrix green function approach (no need here for the 
complex band structure) 

a short description of the difference between the two approaches can 
be also found in a previous post to this forum

http://www.democritos.it/pipermail/pw_forum/2006-January/003479.html 

cheers
Andrea


-- 
Andrea Ferretti
National Research Center S3, CNR-INFM  ( http://s3.infm.it )
Dipartimento di Fisica, Universita' di Modena e Reggio Emilia
Via Campi 213/A I-41100 Modena, Italy
Tel:     +39 059 2055301
Fax:     +39 059 374794
E-mail:  ferretti.andrea at unimore.it
URL:     http://www.nanoscience.unimo.it

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On Wed, 13 Sep 2006, lan haiping wrote:

> Dear all,
> 
>   Basically, both PWCOND and WANT  are post-process tools for  analyzing
> conductance and complex bandstructure. Is it right ?
> While i donot know much the differenc between them, though i read some
> seminal papers about MLWFs and NEGF techniques used in WanT  package.   I
> tried to dig out the Doc for PWCOND , but failed . Would you  please give me
> some hints and help ?
> 
> Regards,
> 
> Hai-Ping
>