GitLab

Fixes #45

Note: ksym seems to be not in use at all. Also not in older fleur versions.

This is (1) the number of special k points and (2) their indices.

...the indices of the special k points are still missing.

don't store the output density anymore. I now read it from the
last input density. ...this may be slightly inconsistent but
in the case of self convergence it should be irrelevant.

This is going to be extended with functionality for the output of augmented
band structure data.

...It actually only is a test commit for my current development environment. :)

...it is used with the command line option -last_extra.

...this is only a dirty quick fix. :)

...related to the choice whether the nonlocal potential should be added in a certain iteration

This seems to be required for mpi based eigenvector IO.

...only slightly tested.

This time: Removal of unused variables for obsolete energy parameter storage.

I removed some stuff related to DOS storage.