[Pw_forum] Transport calculation tutorials

Zubaer Hossain zubaexy at gmail.com
Mon Jun 22 18:28:29 CEST 2009


Hi Gabriele Sclauzero,

Thank you for your quick reply.

I was looking for modeling steps in QE and general concerns in transport
calculations before I launch expensive calculations. Alexander's notes
provide excellent explanations to my querries. Thank you again for referring
me to the page, and thanks Alexander for his helpful notes.

Thanks,
Zubaer



On Mon, Jun 22, 2009 at 11:06 AM, Gabriele Sclauzero <sclauzer at sissa.it>wrote:

>
>
> Gabriele Sclauzero wrote:
> > Hi Zubaer,
> >
> >
> > Since Alexander will be away and busy for few days, I dare to point you
> to his personal
> > web page (hoping he will not blame me...) that, though still under
> construction, has
>
> Sorry, I should not have said "under construction"... it seems actually
> finished and
> working. So you can check the material there to get an idea on how to start
> conductance
> calculations with QE. Please also have a look at the example12 (and also
> example22) in the
> examples directory of QE.
>
> GS
>
>
> > slides about PWCOND as well as some examples and links to all the
> reference papers.
> >
> > http://people.sissa.it/~smogunov <http://people.sissa.it/%7Esmogunov>
> >
> >
>
> --
>
>
> 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
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>
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