[gpaw-users] New stable release: 1.1

[Jens Jørgen Mortensen]

Hi!

There is a new stable GPAW release: 1.1.0.  You can clone it from 
https://gitlab.com/gpaw/gpaw.git, pip install it from PyPI or download a 
tar-file from PyPI.  More details here:

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

You will need to update your ASE to version 3.11.0 or later.

*This release fixes a bug in the recently added spin-orbit module*.

Other news since 1.0:

The default Davidson eigensolver can now parallelize over bands.

Jellium calculations can now be done in plane-wave mode and there is a 
new *background_charge* keyword.

New band structure unfolding tool.

The get_pseudo_wave_function() method has a new keyword:  Use 
periodic=True to get the periodic part of the wave function.

New tool for interpolating the pseudo wave functions to a fine 
real-space grids and for adding PAW-corrections in order to obtain 
all-electron wave functions.

New and improved dataset pages.  Now shows convergence of absolute and 
relative energies with respect to plane-wave cut-off.

New Wannier90 interface.

Updated MacOSX installation guide for homebrew users.

There is a new PAW-dataset file available: gpaw-setup-0.9.20000.tar.gz.  
It's identical to the previous one except for one new data-file which is 
needed for doing vdW-DF calculations with Python 3.

See the release notes for more details:

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

Thanks a lot to everyone who contributed to this release.

Please update and let us know if you encounter any problems.

Jens Jørgen