**Here we collect the list of *added*, *changed*, *deprecated*, *removed* and *fixed* features in preparation for the next release.**
### Added
- 'EFSET' option for voronoi: read in whished value of Fermi level from inputcard (core state energies of starting potential is shifted accordingly)
- '<AFAC_RAD>' input for voronoi: read in a factor of radial mesh (r(i)=b*(exp(a*(i-1))-1)) where b is determined from a and rmt. Default value (a=0.025) is obtained with setting AFAC_RAD to a negative number. If a is increased (decreased) the start of the radial mesh is shifted to a lower (higher) radius.
-`EFSET` option for voronoi: read in whished value of Fermi level from inputcard (core state energies of starting potential is shifted accordingly)
-`<AFAC_RAD>` input for voronoi: read in a factor of radial mesh (r(i)=b*(exp(a*(i-1))-1)) where b is determined from a and rmt. Default value (a=0.025) is obtained with setting AFAC_RAD to a negative number. If a is increased (decreased) the start of the radial mesh is shifted to a lower (higher) radius.
-`POT_NS_CUTOFF` option for KKRhost and KKRimp (see issue #124)
### Changed
-None
-cutoff of potential components which are (almost) zero (see issue #124 and `POT_NS_CUTOFF`)
### Deprecated
- None
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@@ -42,12 +43,12 @@
- allow up to LMAX=8 in voronoi code and KKRhost code
### Changed
- Renamed keywords that have 'files' in the name to avoid clash with 'FILES' keyword in inputcard
- Renamed keywords that have `files` in the name to avoid clash with `FILES` keyword in inputcard
- if GGA is used, set Vxc of empty cells to LDA (VWN)
- remove a lot of unnessecary files written out by each rank running the KKRimp code. Now by default only the master writes the files (old behavior can be reactivated using the 'write_all_ranks' test flag)
- remove a lot of unnessecary files written out by each rank running the KKRimp code. Now by default only the master writes the files (old behavior can be reactivated using the `write_all_ranks` test flag)
### Deprecated
-'IMPURITY' option of voronoi code, not working properly and thus commented out
-`IMPURITY` option of voronoi code, not working properly and thus commented out
### Fixed
- Fix auto tests
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@@ -593,8 +594,8 @@ readinput changed to comply with new inputcard keywords of JM code
- Implemented writeout of Pkk' for option SCATTFIX and LLIFETIME.
- For option SCATTFIX, changed the implementation such that the INCOMMING k-vector is fixed (before it was outgoing k-vector).
- To solve memory-issues with very large slab calculations, the paramter 'NROOTMAX' can be set in the inputcard. If NROOTMAX= 0 assumes the maximal possible value.
- Included checks whether actually TBKKR_torq orr TBKKR_rhod-files are present when they shall be used.
- To solve memory-issues with very large slab calculations, the paramter `NROOTMAX` can be set in the inputcard. If `NROOTMAX= 0` assumes the maximal possible value.
- Included checks whether actually TBKKR_torq or TBKKR_rhod-files are present when they shall be used.
