DFTB+ 17.1 (Windows Binary)

Windows version of DFTB+ (version 17.1) is Available Here

The DFTB+ program is officially supported for Linux OS only. Since DJMol is currently supported for Windows OS, we made an equivalent Windows compatible DFTB+ executables for Win OSs (tested against Win 7, 8 and 10) . I thank Dr. Balint Aradi and Prof. Dr. Thomas Frauenheim, for their valuable technical support and encouragements.

At present, these (32 bit) binaries are compiled with Intel Fortran 95 compilers (using Microsoft Visual Studio 2013 support) and with its compatible Math Kernel Libraries (MKL) & OpenMP support (so that a user can get multicore support for the calculations)

To Download the zip file, click here: <Get DFTB+17.1WindowsBinaries> ; And Please read its word Document file/PDF file for more details on installation / OpenMP settings in Win OS as well as usage of <modes> and <waveplot> binaries to generate vibrational modes/Molecular Orbital data etc.

We also recommend to read the "Technical Notes" (see below PDF note) before executing these programs.