GitLab

Fixes to make pbe faster (again after refactoring of xcpot) Changes for reanabling old CPP_66 functionality

-removing of variable icorr, use of member-functions instead
-removal of icorrkeys module
-removal of hybridmix module
-cleanup at several places

Replace MIN by MAX

Somehow the testcase was ended due to the now commented line if the files
were not found. As it was ended, the succeeding validations could not be run
and the test passed. But it should have failed.

This was relevant for the MPI eigenvector parallelization for this test case.
This is not implemented and therefore has to fail.

The problem was that if the w_iks array was to be communicated it overwrote
the eig array. This is fixed by introducing an explicit w_iks_data array.

only needed for l_ss. Some further checks are needed to ensure its correct.

(The bugs were somehow introduced due to the inclusion of the hybrid code.)

This is done mainly by adding CPP_NEVER ifdefs to the MPI branches in
the hybrid code path.

Integrated hybrid branch. Still lots of problems, but after the release MaX-R2 this seems a good time to get rid of the extra branch!

Conflicts:
	cdn/cdnval.F90
	cdn_mt/cdnmt.f90
	cmake/Files_and_Targets.txt
	eels/corespec_eval.f90
	eels/corespec_io.f90
	eigen/hsmt_extra.F90
	force/geo.f90
	global/constants.f
	global/types.F90
	init/bandstr1.F
	init/postprocessInput.F90
	inpgen/atom_input.f
	io/r_inpXML.F90
	io/w_inpXML.f90
	main/fleur.F90
	main/fleur_init.F90
	mpi/mpi_bc_all.F90
	tests/CMakeLists.txt
	wannier/CMakeLists.txt
	wannier/abcof_small.F
	wannier/uhu/CMakeLists.txt
	wannier/uhu/d2fdz2.F
	wannier/uhu/d2fdz2cmplx.F
	wannier/uhu/dujdr.F
	wannier/uhu/wann_uHu.F
	wannier/uhu/wann_uHu_dmi.F
	wannier/uhu/wann_uHu_int.F
	wannier/uhu/wann_uHu_od_vac.F
	wannier/uhu/wann_uHu_radintsra.F
	wannier/uhu/wann_uHu_radintsra2.F
	wannier/uhu/wann_uHu_soc.F
	wannier/uhu/wann_uHu_vac.F
	wannier/wann_1dvacabcof.F
	wannier/wann_2dvacabcof.F
	wannier/wann_gwf_commat2.f
	wannier/wann_maxbnd.F
	wannier/wann_mmk0_od_vac.F
	wannier/wann_mmkb_int.F
	wannier/wann_mmkb_od_vac.F
	wannier/wann_optional.f
	wannier/wann_orbmag.F
	wannier/wann_plot.F
	wannier/wann_plot_um_dat.F
	wannier/wann_postproc.F
	wannier/wann_postproc_setup5.F
	wannier/wann_real.F
	wannier/wann_rw_eig.F
	wannier/wann_updown.F
	wannier/wann_wan90prep.f
	wannier/wannier.F
	wannier/wannier_to_lapw.F