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

Jens Jørgen Mortensen jensj at fysik.dtu.dk
Fri Nov 22 11:01:03 CET 2013


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
* ...

Jens Jørgen



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