[ase-users] Code-sprint moved to tomorrow
Mikkel Strange
mikst at fysik.dtu.dk
Wed May 3 09:51:34 CEST 2017
Dear code sprinters,
let's meet in the lunch room in building 311 in 10 minutes :-)
Besides the usual program of fixing ASE and GPAW etc. we have some special task we could really use some help with :-)
1) Interpolation of GW (HSE) bandstructure from monkhorst to paths in bz zone
2) Extend bandstructure object in ASE to plot spin-orbit band structures colored according to <s_z>
3) Show chemical formulas "better" than standard hill notion, i.e. show SnO2 instead of O2Sn, etc.
4) Stoichiometry search in an database, i.e. searching for MoS2 also finds rows with Mo2S4, Mo4S8 and so on.
5) Replace all use of pickle files in ASE and GPAW with np.savez.
6) Fix c2dm web page, so that it shows up mostly correctly on Safari, e.g. independent
of the browser.
best wishes
Mikkel
________________________________________
From: ase-users-bounces at listserv.fysik.dtu.dk [ase-users-bounces at listserv.fysik.dtu.dk] on behalf of Jens Jørgen Mortensen via ase-users [ase-users at listserv.fysik.dtu.dk]
Sent: Tuesday, May 02, 2017 6:51 AM
To: ase-users at listserv.fysik.dtu.dk
Subject: [ase-users] Code-sprint moved to tomorrow
Sorry for the late notice: The code-sprint that should have been today
10-15 will not be. We'll do it tomorrow instead! Room will be
announced later today.
Hope to see you all,
Jens Jørgen
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