Dear Hui Wang, THanks for you kind advice. Just tell me I have to do the symmetry analysis manually, or there is some simple method to do so? thanks
On 8/11/09, xirainbow <nkxirainbow at gmail.com> wrote: > 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 > -- Dr. Bipul Rakshit Research Associate, S N Bose Centre for Basic Sciences, Salt Lake, Kolkata 700 098 India
