Dear developers and users, I'm new to QE and want to do some electron phonon calculation to reproduce the el-ph scattering rates similar to that reported in this paper: "First-principles calculations of electron mobilities in silicon: Phonon and Coulomb scattering" Restrepo et al, Appl. Phys. Lett. 94, 212103 (2009). This paper used QE package as well. However, when I tried to run a silicon el-ph calculation by modifying the example input files for Al, the program complained "el-ph calculations for metals only". I tried to suppress the error message and ran the code. It output the el-ph coupling constants etc. similar to Al case, however, I've no idea if the results make sense.
For semiconductors, the code should have no problem calculating the el-ph matrix elements g and should be able to give band energies and Fermi energy as needed to compute phonon linewidth. So I'm confused why QE cannot do el-ph for semiconductors? Could you please help me understand it a little bit? Thanks! Please excuse me if the answer is obvious. Thanks a lot! Bo -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120907/c66cefd5/attachment.htm
