[gpaw-users] GPAW code sprint on Monday 2. December

[Jens Jørgen Mortensen]

Den 22-11-2013 11:01, Jens Jørgen Mortensen skrev:
> Hi all!
>
> As you may have noticed, a lot of changes is taking place currently in 
> the code related to calculating the response function.  See also this 
> email thread:
>
> http://listserv.fysik.dtu.dk/pipermail/gpaw-developers/2013-October/004241.html 
>
>
> The calculation of Chi0 has been rewritten (response/chi0.py and 
> response/pair.py) and these building blocks are now used for RPA 
> calculations (xc/rpa.py) and exact exchange calculations (xc/exx.py).  
> There is a new G0W0 implementation on its way also based on the new 
> code.  Thomas is adapting the RALDA stuff, and eventually we'll have 
> to look at the BSE and RPA-GPU code also.
>
> There is a lot of work to do, so I hope those of you that have an 
> interest in this area will join the next GPAW sprint on Monday 2. 
> December, where we will try to finish as mush of the remaining work as 
> possible.  It will also be a good opportunity for new people to get 
> involved and learn about this part of the code.
>
> It will be in Lyngby starting at 9am and we will continue until we run 
> out of energy.
>
> Let me know if you are interested so that we can decide what you 
> should work on during the sprint.  Here are some things that we need 
> to do:
>
> * update tutorials
> * update tests
> * write more tests
> * finish GW
> * ...

Latest news:  We have the following participants: Filip, Mohnish, 
Morten, Per, Simone, Thomas and me.

The plan is to go through our nightly and weekly tests as well as 
tutorials and documentation and make things work with the new code. 
Before Monday, please refresh your memory and read these pages:

https://wiki.fysik.dtu.dk/gpaw/documentation/tddft/dielectric_response.html
https://wiki.fysik.dtu.dk/gpaw/tutorials/dielectric_response/dielectric_response.html
https://wiki.fysik.dtu.dk/gpaw/documentation/xc/rpa.html
https://wiki.fysik.dtu.dk/gpaw/tutorials/rpa/rpa_tut.html

and also take a quick look at this code:

https://wiki.fysik.dtu.dk/gpaw/epydoc/gpaw.response.pair-pysrc.html
https://wiki.fysik.dtu.dk/gpaw/epydoc/gpaw.response.chi0-pysrc.html

and try to understand it.  We'll discuss it in detail on Monday.

Suggestion for who does what:

Mohnish: Fix EXX and PBE0 tests and work on HSE
Per: Fix RPA tests
Filip and Simone: Fix EELS and absorption spectrum tests
Morten: Work on GW code or new df.py
Thomas and me: Other stuff

We'll meet at 9:15 am in Karsten's office.

Jens Jørgen

>
> Jens Jørgen
>