[gpaw-users] GPAW version 1.2 released!

[Jens Jørgen Mortensen]

Hi!

Another 854 commits from 22 committers and we have GPAW version 1.2. You 
get it from PyPI as described here:

https://wiki.fysik.dtu.dk/gpaw/install.html#installation-using-pip

*Note* that GPAW-1.2 requires a brand new ASE-3.13 in order to work, so 
update your ASE at the same time as your GPAW.

Please read carefully the complete list of changes here:

https://wiki.fysik.dtu.dk/gpaw/releasenotes.html

The biggest change is that gpw-files use a new file-format and the 
IO-code has been completely rewritten.  Old gpw-files should still 
work.  If you encounter any problems reading old files then please let 
us know (or redo the calculation).

Please also run the tests:

     $ pythonX-m gpaw test -j <number-of-cores-that-your-computer-has>

and let us know if there are any failures.

Other new stuff (see release-notes for details):

* GW improvements: self-consistency in G and 2D optimizations.
* New simple syntax for k-point paths.
* Calculations with |fixdensity=True|no longer update the Fermi level.
* Dipole-layer corrections for slab calculations can now be done in 
PW-mode also.
* New |get_electrostatic_potential()| 
<https://wiki.fysik.dtu.dk/gpaw/devel/paw.html#gpaw.paw.PAW.get_electrostatic_potential>method.

Thanks to all who helped make this new release.

Jens Jørgen