Welcome to the dftbplus_tutorial wiki!
This is a tutorial to learn how to use DFTB+ written by Alessandro Pirrotta.
The tutorial contains the following folders:
bin/ contains the executables used in the tutorial. To obtain the executables, please go to https://www.dftbplus.org/
slater_koster/ contains the Slater-Koster parameters used by DFTB+ in this tutorial
tut01/ geometry optimization of 1,4-dithiol-benzene
tut02/ plot HOMO and LUMO orbitals for the optimized 1,4-dithiol-benzene structure
tut03/ Transport computation without periodic boundary conditions
tut04/ Transport computation with periodic boundary conditions using a modified version of DFTB+NEGF