exciting-0.9.89

exciting-0.9.89
-symmetry handling now greatly improved thanks to a very fruitful exchange visit by JKD and SS to the Uppsala group (Lars Nordström, Fredrik Bultmark, Francesco Cricchio and Sébastien Lebègue)
-all types of magnetic and non-magnetic cases now treated with all possible symmetries and k-point set reduction is maximised
-fixed bug in spin-spiral routine spotted by Francesco Cricchio who also improved the covering set for spherical harmonic transforms
-combined the EXCITING Users' and Developers' Guides into the EXCITING Manual and put the LaTeX source into main.f90
-changed the scissor correction usage back to pre-0.9.74 versions
-Sangeeta Sharma updated and tested optics and the magneto optical Kerr effect (MOKE)
-MOKE now uses task=122
-included MOKE example for Ni
-Sébastien Lebègue speeded up Brillouin zone integration by a factor of 2
-Sébastien Lebègue also added the Drude term to linear optics and (with SS) tested it against the Wien2k code
-renamed IAD.OUT to IADIST.OUT
-added more documentation to the code
-changed the anti-ferromagnetic example
-increased default vacuum to 10.0
-improved the species generation code
-included simple cubic Ununhexium as an example of how to make your own species files
-upgraded the internal BLAS and LAPACK libraries to version 3.1 (the code still works perfectly with version 3.0 though)
-the main code as well as Spacegroup now output both XCrySDen and V_Sim files for plotting the crystal structure
-lots of optimisations