No. Not pw.x ph.x can. Like in any other system. Follow the following steps: 1) read the users' manual; 2) as indicated in (1) perform a scf calculation; 3) calculate the phonons. Enjoy. SB
On Jun 29, 2011, at 9:54 PM, Sanjeev Gupta wrote: > 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110630/bbe2573d/attachment-0001.htm
