Dear Hussam Bouaamlat (please sign always your posts to the forum with name and scientific affiliation) The negative or positive external potential applied to the STM tip roughly corresponds (if you neglect charging effects depending also on the tunneling current) to the offset between the Fermi level of your system and the maximum/minimum potential of the injected/extracted electron in the simulated STM. For one electron, the potential bias (in V) corresponds to a given energy offset (in eV), that you can easily convert to the value in Rydberg a.u. (1 Ry = 13.606 eV).
HTH Giuseppe Quoting HUSSAM BOUAAMLAT <hussam.bouaam...@usmba.ac.ma>:
Dear QE users, I am trying to simulate STM images, the only problem I have is the bias voltage. in experimental we use, for example, V = 0.3 V, but when I use QE I have to use atomic units. So what is the value I need to get the same V = 0.3V value? I'm sorry if this question sounds trivial. Best regards,
GIUSEPPE MATTIOLI CNR - ISTITUTO DI STRUTTURA DELLA MATERIA Via Salaria Km 29,300 - C.P. 10 I-00015 - Monterotondo Scalo (RM) Mob (*preferred*) +39 373 7305625 Tel + 39 06 90672342 - Fax +39 06 90672316 E-mail: <giuseppe.matti...@ism.cnr.it> _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
