xirainbow wrote: > Dear all? > > I know the example 22 give a transmission with spin-orbital effect. > > Is the spin-orbital effect considered as perturbation?
No, it is not correct to say this in my point of view. The SO effect is included through the use of so-called fully-relativistic pseudo potentials, as it is done in PWscf (see Andrea Dal Corso and Adriano Mosca Conte, Phys. Rev. B 71 115106 (2005) for details). > Does the pwcond.x use "Green function" method? No, it uses a scattering state approach, which integrates numerically a scattering equation in real space along the direction of transport (while in the perpendicular directions the PW basis of the PWscf calculation is retained). See: Hyoung Joon Choi and Jisoon Ihm, Phys. Rev. B 59, 2267 (1999) for the method originally developed for norm-conserving PPs and: Andrea Dal Corso, Alexander Smogunov, and Erio Tosatti, Phys. Rev. B 74, 045429 (2006) for the extension to US-PPs with spin-orbit coupling. > Can the pwcond.x deal with "voltage bias" condition? No, it is built within the Landauer-Buttiker linear response theory, which gives the low bias limit of the conductance. Regards, GS > > Thanks in advance?? > > -- > ____________________________________ > Hui Wang > School of physics, Nankai University, Tianjin, China > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
