Density of states using tight-binding model, programmed in C with OpenMP parallel implementation.
With spin-orbit interaction.
- OpenMP
- GSL (GNU Scientific Library)
- BLAS
- LAPACK
- CBLAS
$ git clone https://github.com/graguirre/tight-binding.git
- Make
$ make tight-binding
- Calculate DoS
$ cat input/pt-pt.xyz | ./tight-binding -d
- Calculate DoS with spin-orbit (parameter lambda=0.1)
$ cat input/pt-pt.xyz | ./tight-binding -d -l 0.1
- Plot DOS, using gnuplot
gnuplot> plot '<(cat input/cadenaPt.xyz | ./tight-binding -d)' u 1:2 w l
- Plot and compare DOS
$ cat input/cadenaPt.xyz | ./tight-binding -g > dos-green.dat
gnuplot> plot '<(cat input/cadenaPt.xyz | ./tight-binding -d)' u 1:2 w l, 'dos-green.dat' u 1:2 w l, '<(octave --silent extra/dos.m)' u 1:2 w l
- Plot Hamiltonian matrix, using gnuplot
gnuplot> set view map
gnuplot> plot '<(cat input/pt-pt.xyz | ./tight-binding -h)' matrix with image