Dear Hua Peng: please, refer to the pw_form mailing list that you can subscribe from http://www.pwscf.org The calculation of phonon lifetimes from third-order perturbaton theory is discussed, e.g., in A. Debernardi, S. Baroni, and E. Molinari, Phys. Rev. Lett. 75, 1819 - 1822 (1995) See also Dbernardi's PhD thesis: Anharmonic Properties of Semiconductors from Density Functional Perturbation Theory Best wishes - SB
On Apr 29, 2008, at 3:05 PM, penghua8503 wrote: > > > > Dear Professor Baroni, > I am a postgraduate student from Shandong University in China I > run example14 in PWscf to calculate phonon life of Si. I got a > file(si.anh_G)produced by d3.x. But I do not understand the results > of it Are these dates the third derivative of energy? Using the file > in the result, how can I get the phonon life? Could you give me some > reference article? I really appreciate your help. > Thanks again for reading this mail. > Sincerely yours > Hua Peng > > Hua Peng > School of Physics > Shandong University, Jinan 25100 > People' Republic of Chin > > > ??????230????????60692999 --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste [+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/20080429/552f99f6/attachment.htm
