Contents Table of Contents Introduction ADF 2008.01 .. Summary ADF2008.01 improvements .. ADF: Bader's analysis .. ADF: QM/MM .. ADF: lifetime effect, magnetizability .. ADF: Franck-Condon Factors .. ADF: MM dispersion-corrected functionals .. ADF: improved optimization now default .. ADF: Speed-ups .. ADF: output, files .. Densf .. ADFprep: scripting .. ADFreport: reporting results .. ADF-GUI: GUIPrefs module added .. ADF-GUI: adfjobs .. ADF-GUI: other improvements .. BAND .. BAND-GUI: New BANDdos module .. BAND-GUI: other improvements .. COSMO-RS .. DFTB ADF 2007.01 .. Summary ADF2007.01 improvements .. ADF-GUI: New ADFjobs module .. ADF-GUI: Other Graphical User Interface (ADF-GUI) improvements .. ADF: Improved Optimization in delocalized coordinates .. ADF: Frequency scan, Raman .. ADF: Transition State searches: partial Hessian and improved NEB .. ADF: Spin-orbit gradients .. ADF: Vibrational Circular Dichroism (VCD) spectra .. ADF: Environment modelling - Frozen Density Embedding (FDE) .. ADF: Environment modelling - QUILD .. ADF: New SCF convergence option .. ADF: MO6 xc functional .. BAND-GUI: Various Graphical User Interface (BAND-GUI) improvements .. BAND: Geometry optimization for periodic structures .. BAND: Time-dependent DFT extensions .. BAND: Linear scaling and speed-ups .. BAND: New TZP basis, improvements for lanthanide basis sets ADF 2006.01 .. Introduction .. BAND Graphical User Interface (BAND-GUI) .. ADF Graphical User Interface (ADF-GUI) improvements .. Hartree-Fock and hybrids in the SCF .. Analytic second derivatives inside ADF .. Frozen-Density Embedding .. Spin-Orbit coupled TDDFT .. Resonance Raman .. MM dispersion .. Further ADF improvements and changes .. Property improvements .. BAND BasisDefaults key .. Further BAND improvements .. Maxmemoryusage removed .. Automatic conversion of the binary KF files ADF 2005.01 .. Introduction .. ADF Graphical User Interface (ADF-GUI) improvements .. Discrete Reaction Field environment model .. Bond orders .. Excitation energies .. Faster gradients .. Delocalized coordinates .. Nudged Elastic Band (NEB) method for transition state search .. Frequency calculations .. New XC potentials .. Bug fix off-diagonal part NMR shielding tensor .. Basis sets .. EPR: SOO contribution to the g-tensor .. LDA potential in analytic second derivatives program SD .. pdb2adf .. Physical constants updated ADF 2004.01 .. Introduction .. Platforms .. ADFspectra .. ADFmovie .. Chiral optical properties .. Meta-GGA and hybrid xc energy functionals .. New XC potentials .. SIC potential .. Improvements in grid generation .. Geometry optimizations: new Hessian update and constraint options .. Smoothing of gradients .. Interface to NBO package .. Expectation value S² .. Spin-Orbit Coupling .. ESR .. Faster analytic second derivatives .. Parallellization NMR and CPL programs .. Major speed-ups for Fock matrix calculation .. Time-dependent DFT code in BAND .. TAPE10 .. DENSF .. ADFview .. ADFinput .. Other ADF 2003.01 ADF 2002.03 .. Introduction .. Platforms .. BAND .. QM/MM and AddRemove model .. Basis sets .. Modified way of working with temporary directories .. Bug fix Z-matrix geometry optimization .. Bug fixes numerical grid generation .. Other bug fixes ADF 2002.02 .. Introduction .. Platforms .. COSMO .. Densf ADF 2002.01 .. Introduction .. Platforms .. Input generation .. Property Programs .. XC functionals .. Linear Scaling and Parallelization .. QM/MM .. Basis sets .. Errors Repaired ADF 2000.02 .. Introduction .. Platforms, Licenses .. Utility Programs and Scripts .. Errors Repaired ADF 2000.01 .. Introduction .. Runtime control, Installation .. Platforms, Licenses .. Documentation, Examples, Database .. Functionality .. Utility Programs .. Performance, Precision, Technical .. Representation, Results .. Errors Repaired .. Known, but Unsolved Errors .. Miscellaneous ADF 1999.02 .. Introduction .. Platforms .. Documentation, Examples, Database .. Functionality ADF 1999 .. Introduction .. Runtime control, Installation .. Platforms, Licenses .. Documentation, Examples, Database .. Functionality .. Utility Programs .. Performance, Precision, Technical .. Representation, Results .. Errors Repaired .. Miscellaneous ADF 2.3 / BAND 1.0 .. Runtime control .. Installation, Platforms .. Documentation, Examples .. Functionality, Options .. Bugs, Errors ADF 2.2.1 .. Installation, Platforms, License ADF 2.2 .. Installation, Platforms, License .. Documentation, Examples .. Functionality, Options .. Bugs, Errors .. Utility Programs ADF 2.1 .. Installation, Platforms, License .. Database, Basis sets .. Documentation, Examples .. Functionality, Options .. Performance, Precision, Technical Matters .. Presentation, Results .. Bugs, Errors .. Miscellaneous .. Utility Programs ADF 2.0 / 2.0.1 .. Installation .. Documentation .. Functionality and Options .. Performance, Precision, and Technical Issues .. Solved Bugs .. Miscallaneous

 

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