Dear Reza, En/na reza behnam ha escrit:
Dear all, Could any one let me know if SIESTA could calculate the STM images, using the Tersoff-Hamann approach? If Yes How?
It is pretty simple. You have to specify a LocalDensityOfStates block in your fdf. There you will indicate the energy window where you want to sum the DOS (in orthodox Tersoff-Hamann you only look at the Fermi level). The LDOS produced can then be read by the plstm utility that you'll find in the Util directory which will give you a nice 3d grid that you can represent with gnuplot, for instance.
I hope this helps. Riccardo -- Riccardo Rurali Escola Tècnica Superior d'Enginyeria (ETSE) Universitat Autònoma de Barcelona (UAB) Campus de la UAB 08193 Bellaterra (Barcelona) Spain tel.: +34 93 581 3531 fax.: +34 93 581 2600 e-mail: [EMAIL PROTECTED] Man, the dope's that there's still hope
