Thank you ,Andrea ! regards, hai-ping
On 9/13/06, Andrea Ferretti <ferretti.andrea at unimore.it> wrote: > > > 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 > > Please, if possible, don't send me MS Word or PowerPoint attachments > Why? See: http://www.gnu.org/philosophy/no-word-attachments.html > > > 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 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20060913/0a29dd92/attachment.htm
