As always this is a short summary of new features/changes.
A more detailed list of changes is found in appendix A (Summary of Changes)
in FPLOvv.vv-rr/DOC/MANUAL/doc.pdf


This is the 2022 release of FPLO which comes with a
number of changes and new features:

- A bug in the optics module was found and fixed, which leads to too
  few tensor components being written to the file +imeps. This bug
  affected monoclinic and triclinic lattices, in which case the error
  was quite obvious.

- For broadening BZ-integration methods the free energy and the
  extrapolated energy are additionally printed to the output now.

- The (modified) Becke-Johnson xc-potential has been implemented.

- The basis can be extended/modified in the fedit menu Basis. The file
  =.basdef is no longer the standard way of extending the basis. For
  non-standard modifications =.basdef can be manipulated via
  pyfplo.fploio.Basis (../pyfplo/pyfplo.pdf).

- A new fedit submenu "XC-options" was added for setting adjustable
  parameters of xc-functionals. The mBJ-like potentials have parameter
  c_mBJ, which is determined self-consistently. For pre-converging
  calculations or for other reasons this parameter can be set constant
  in this submenu.

- The total gap, the mBJ-parameters (g_mBJ, c_mBJ) and the
  broadening-corrected and free energy are grep-able via grepfplo.

- We added pyfplo.fploio.Basis and related classes to manipulate the
  basis on low level

- We added pyfplo.fploio.OutGrep to grep fplo output from scripts.

- We added the list of elements: pyfplo.common.c_elements and
  pyfplo.slabify.c_elements.

- We added pyfplo.fedit.basis related to the corresponding new fedit
  submenu.

- We added pyfplo.fedit.xcoptions related to the corresponding new
  fedit submenu.

- We added the THCI-settings to pyfplo.fedit.numerics related to the
  corresponding new fedit Numerics submenu settings.

- Several pyfplo examples were added.

Dresden July 2022

Klaus