Oleg Peil b325028efd Fixed the calculation of 'nelect' ...

In the previous commit the calculation of 'nelect' was implemented
incorrectly. The sum over k-points must also contain k-weights
and a spin factor (2.0 for ns = 1).

The calculation of 'nelect' is now implemented as a separate method
of ProjectorGroup.

2015-10-11 13:55:48 +02:00

..

vasp

Fixed the calculation of 'nelect'

2015-10-11 13:55:48 +02:00

__init__.py

Added first draft of general converter to handle general H(k)

2014-04-02 17:54:31 +02:00

converter_tools.py

[doc] New documentation

2015-04-21 14:31:15 +02:00

hk_converter.py

[doc] New documentation

2015-04-21 14:31:15 +02:00

wien2k_converter.py

Removes work around for issue #41

2015-08-10 16:14:51 +02:00