GitLab

At present only the special case of a Gamma-point calculation is treated.

...somehow this breaks certain tests. Cause is not yet known.

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

I removed some stuff related to DOS storage.

...together with Miriam Hinzen.

...by turning chase_eig_id into a module variable

...together with Miriam Hinzen.

Also in this commit: Slight beautification of the configure script output for ChASE.

Removed jij data-type, added first implementation of further force-theorem modes, these lack tests&support in xml-shema

Cleanup and bugfixes are required.

...also in this commit: Replace multiple definitions of lmaxb by a single constant lmaxU_const.

Bugfixes, put swapped some variables between hybrid/hybdat datatype, moved files from xc-pot to hybrid

Now fleur.F90 calls a subroutine that does most of the hybrid stuff.
In eigen.F90 only the non-local potential is added to the Hamiltonian

Removed most of CPP_INVERSION