Update Add "CartesianCoordinates" option to generate the TB model in Cartesian coordinates for symham function . See MoS2 for example. Add banddata to generate band.dat file. See MoS2 for example.
Update Add "CartesianCoordinates" option to generate the TB model in Cartesian coordinates for symham function . See MoS2 for example. Add banddata to generate band.dat file. See MoS2 for example.