Dear all, I am running phonon dispersion for YSn3, which is crystallizes in cubic structure. While running the programme i dont have any imaginary frequencies in my o/p file (ph.out). But using plotband.x tool for plotting dispersion, my final plot got negative axis exactly starting from the value of Fermi energy. Below i am sending the plotband.x details
Reading 12 bands at 101 k-points Range: 0.0000 133.5007eV Emin, Emax > 0 140 high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 0.0000 high-symmetry point: 0.5000 0.0000 0.0000 x coordinate 0.5000 high-symmetry point: 0.5000 0.5000 0.0000 x coordinate 1.0000 high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 1.7071 high-symmetry point: 0.5000 0.5000 0.5000 x coordinate 2.5731 high-symmetry point: 0.5000-0.5000 0.5000 x coordinate 3.5731 high-symmetry point: 0.0000 0.0000 0.5000 x coordinate 4.2802 output file (xmgr) > YSn3.xmgr bands in xmgr format written to file YSn3.xmgr output file (ps) > YSn3.ps Efermi > 13.2559 deltaE, reference E (for tics) 30, 13.2559 bands in PostScript format written to file YSn3.ps . Is there any error in my calculation or any bug in plotband.x. Because the same o/p YSn3.xmgr from this plotband.x shows nicely with xmgrce shows. please help me in this. Thanks in advance S.Appalakondaiah Research scholar University of Hyderabad Hyderabad India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120710/7593bf8e/attachment-0001.htm
