Dear Bipul Rakshit: >My doubt is if you see the O/P of phonon (phonon.out) file, it seems it is going to calculate all >the 60 modes. >But as far as I know at gamma atleast few modes are degenerate and acoustic is zero. I look at your uploaded files and found the following content: " ibrav= 0, celldm(1) =14.62476638, nat= 20, ntyp= 4, CELL_PARAMETERS cubic 0.73727 0.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.71933" The symmetry of your system is very low. I think you can do certain symmetry analysis for your system, determine how many degenerated mode are before calculation.
____________________________________ Hui Wang School of physics, Nankai University, Tianjin, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090811/7185631e/attachment.htm
