New features and improvements

1. Support "local-axis" which is useful for WIEN2k users (Link to HowTo, Link to Utilities );

2. New Feature: Enforce the Hermiticity of Hamiltonian;
   New Tag: Enforce_Hermiticity (default: True). Enhance Hermiticity if this tag is True. Ignore Hermiticity if this tag is Flase.

New features

• Now, WannSymm can output the band structure derived from the real-space Hamiltonians.
  The output files related are "bands_ori.dat" and "bands_symmed.dat". You can plot those two files to compare the original band structure and the symmetrized one, with the command in gnuplot (for example) :

# gnuplot command
plot 'bands_ori.dat' w l, 'bands_symmed.dat' w l

• We added an example [04_SrVO3_t2g] that shows how to setup the "kpath" block in input file for calculating band structures.

Bug fixes and improvements

• Fix bug when finding magnetic group related to non-collinear magnetic moments;
• When calculating characters and eigenvalues, skip those symmetries with TRS;
• Make the description of symmetry operation in outputfile clearer;

This is the first public release