[Q-e-developers] Addition of a simple transport code

[Filippo SPIGA]

Dear Burak,

we definitely need smart hands, all help is greatly appreciated! Let us know if you have time spare in between your job duties and if there are QE users in UCSB ;-)

I suggest you to subscribe q-e-developers at qe-forge.org (if you are not already a member) to keep a constant eye about what is going on. 

Cheers!

--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://fspiga.github.io ~ skype: filippo.spiga

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> On Oct 22, 2015, at 9:03 PM, Burak Himmetoglu <burak.himmetoglu at ucsb.edu> wrote:
> 
> Hi Paolo,
> 
> I am glad that my slides and notes are useful! Please feel free to use them. 
> 
> Thanks for your help! I will add more capabilities in the future to the transport package, and make sure it is in line with your changes. 
> 
> I am at University of California Santa Barbara. Now I am the campus HPC specialist, and mostly provide technical support and training. I have some time to work on QE development, and hopefully I will contribute more.
> 
> P.S. Hi Filippo, hope to collaborate with you on QE.
> 
> Best wishes,
> Burak
> 
> On Thu, Oct 22, 2015 at 12:48 PM, Paolo Giannozzi <paolo.giannozzi at uniud.it> wrote:
> Hi Burak, sure I remember you! By the way, I have shamelessly exploited your notes and exercises on DFT+U recently. I have noticed your contribution, it is very much appreciated. I didn't know somebody was actually using the output of electron-phonon files! If I start to change this and to complain about that, never mind, it is quite normal that a few things have to be adjusted in a code that has to run on a variety of machines. Where is your next job? It would be great if you could spend some time in the future in the development of QE.
> 
> CC: to Filippo Spiga, who is trying since a few months to make the development of QE less chaotic, before he starts wondering "who is this guy?!?"
> 
> Paolo
> 
> On Thu, Oct 22, 2015 at 7:55 PM, Burak Himmetoglu <burak.himmetoglu at ucsb.edu> wrote:
> Dear Paolo,
> 
> Greetings from Santa Barbara, CA. If you remember me, I was involved in Quantum Espresso workshops at Penn State ('12 and '14) and worked on the DFT+U implementation while I was a post-doc with Matteo Cococcioni (between '10 and '12). 
> 
> In the last year, I developed a simple transport code. This code is an alternative to BoltzWann and Boltztrap, and can use simple pw outputs. It can deal with scattering rates that are not constant, so it has some advantages (and some disadvantages for systems with lots of band crossings). 
> 
> I have recently included it in the SVN version of the PP folder. I will be doing more work on it and include examples and extensions. Since I left my last postdoc recently for a HPC specialist job, I have some more time doing development work (instead of trying to maximize publications).
> 
> I hope the code will be useful to many. Please let me know if you have any questions or comments.
> 
> Best regards,
> Burak
> 
> -- 
> Supercomputing Consultant
> Enterprise Technology Services &
> Center for Scientific Computing
> University of California Santa Barbara
> CA, 93106
> 
> 
> 
> -- 
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
> -- 
> Supercomputing Consultant
> Enterprise Technology Services &
> Center for Scientific Computing
> University of California Santa Barbara
> CA, 93106