Dear PWSCF user, Greeting I would like to know weather PWSCF can calculate low energy phonon modes (call it acoustic phonons) for semiconductor nanostructure system like Silicon (size nearly 5 nm). If we see Raman spectra then some of low frequency mode in the range of 5- 50 cm-1. These modes are important in application.
How one can proceed to calculate? Thanks in advance. Best Regards Dr. Sanjeev K Gupta Researcher Dept. of Physics, Bhavnagar University Bhavnagar-364022 Gujarat -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110630/c08d8f0d/attachment.htm