<div dir="ltr">Check the dynamical matrix file, produced by ph.x at the end of the run, there you will also have the phonon displacements.<div><br></div><div>kind regards</div></div><div class="gmail_extra"><br><div class="gmail_quote">On 22 September 2014 18:27, Said Asma <span dir="ltr"><<a href="mailto:saidasma1987@yahoo.fr" target="_blank">saidasma1987@yahoo.fr</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div style="color:#000;background-color:#fff;font-family:times new roman,new york,times,serif;font-size:14px"><div><div><div style="background-color:rgb(255,255,255)"><div><div><div style="background-color:rgb(255,255,255)"><div><div><div style="background-color:rgb(255,255,255)"><div><div><div style="background-color:rgb(255,255,255)"><div style="color:rgb(0,0,0);font-family:'times new roman','new york',times,serif;font-size:14px"><div style="color:rgb(0,0,0);font-family:'times new roman','new york',times,serif"><span style="font-size:16px">Dear QE users ans developers, </span></div><div style="color:rgb(0,0,0);font-family:'times new roman','new york',times,serif"><span style="font-size:medium"><br></span></div><div style="color:rgb(0,0,0);font-family:'times new roman','new york',times,serif"><span style="font-size:medium">I did the phonons calculation of the binary AlN (rocksalt) with 16 atoms
.</span></div><div style="color:rgb(0,0,0);font-family:'times new roman','new york',times,serif"><span style="font-size:medium"><br></span></div><div style="color:rgb(0,0,0);font-family:'times new roman','new york',times,serif"><span style="font-size:medium">My output files is as following:</span></div><div style="color:rgb(0,0,0);font-family:'times new roman','new york',times,serif;font-size:14px"><br></div><div> Diagonalizing the dynamical matrix</div><div><br></div><div> q = ( 0.000000000 0.000000000 0.000000000 ) </div><div><br></div><div> **************************************************************************</div><div> freq ( 1) = 1.108833 [THz] = 36.986674 [cm-1]</div><div> freq ( 2) = 1.574620 [THz] = 52.523675 [cm-1]</div><div> freq ( 3) = 1.575398 [THz] =
52.549629 [cm-1]</div><div> freq ( 4) = 8.195754 [THz] = 273.380916 [cm-1]</div><div> freq ( 5) = 8.196815 [THz] = 273.416304 [cm-1]</div><div> freq ( 6) = 8.199734 [THz] = 273.513674 [cm-1]</div><div> freq ( 7) = 8.200351 [THz] = 273.534269 [cm-1]</div><div> freq ( 8) = 8.201724 [THz] =
273.580054 [cm-1]</div><div> freq ( 9) = 8.204042 [THz] = 273.657390 [cm-1]</div><div> freq ( 10) = 8.204069 [THz] = 273.658277 [cm-1]</div><div> freq ( 11) = 8.204305 [THz] = 273.666167 [cm-1]</div><div>
freq ( 12) = 9.560810 [THz] = 318.914296 [cm-1]</div><div> freq ( 13) = 9.561375 [THz] = 318.933138 [cm-1]</div><div> freq ( 14) = 9.564736 [THz] = 319.045240 [cm-1]</div><div> freq ( 15) = 9.565551 [THz] = 319.072451 [cm-1]</div><div> freq ( 16) = 9.568429 [THz] = 319.168422 [cm-1]</div><div> freq ( 17) =
9.569095 [THz] = 319.190663 [cm-1]</div><div> freq ( 18) = 12.351077 [THz] = 411.987578 [cm-1]</div><div> freq ( 19) = 12.431223 [THz] = 414.660977 [cm-1]</div><div> freq ( 20) = 12.439828 [THz] = 414.947983 [cm-1]</div><div> freq ( 21) = 12.782122 [THz] = 426.365702 [cm-1]</div><div> freq ( 22) = 12.796523 [THz] =
426.846069 [cm-1]</div><div> freq ( 23) = 12.854425 [THz] = 428.777481 [cm-1]</div><div> freq ( 24) = 12.908753 [THz] = 430.589665 [cm-1]</div><div> freq ( 25) = 12.916648 [THz] = 430.852986 [cm-1]</div><div> freq ( 26) = 12.923203 [THz] = 431.071665 [cm-1]</div><div> freq ( 27) = 12.940057 [THz] = 431.633836 [cm-1]</div><div> freq ( 28) = 12.951841 [THz] = 432.026913 [cm-1]</div><div> freq ( 29) = 13.043933 [THz] = 435.098776 [cm-1]</div><div> freq ( 30) = 13.090098 [THz] = 436.638683 [cm-1]</div><div> freq ( 31) = 13.091268 [THz] = 436.677691 [cm-1]</div><div> freq ( 32) = 16.509761 [THz] = 550.706361 [cm-1]</div><div> freq ( 33) = 16.566717 [THz] = 552.606181 [cm-1]</div><div> freq ( 34) = 16.587373 [THz] = 553.295203 [cm-1]</div><div> freq ( 35) = 16.640103 [THz] = 555.054089 [cm-1]</div><div> freq ( 36) = 16.658006 [THz] = 555.651280 [cm-1]</div><div> freq ( 37) = 16.692001 [THz] = 556.785223 [cm-1]</div><div> freq ( 38) = 19.936035 [THz] = 664.994532 [cm-1]</div><div> freq ( 39) = 19.939099 [THz] = 665.096767 [cm-1]</div><div> freq ( 40) = 19.940916 [THz] = 665.157356 [cm-1]</div><div> freq ( 41) = 19.955181 [THz] = 665.633197 [cm-1]</div><div> freq ( 42) = 21.966886 [THz] = 732.736442 [cm-1]</div><div> freq ( 43) = 21.984557 [THz] = 733.325899 [cm-1]</div><div> freq ( 44) = 22.013871 [THz] = 734.303712 [cm-1]</div><div> freq ( 45) = 22.697394 [THz] = 757.103583 [cm-1]</div><div> freq ( 46) = 22.729742 [THz] = 758.182599 [cm-1]</div><div> freq ( 47) = 22.771292 [THz] = 759.568539 [cm-1]</div><div> freq ( 48) = 22.788849 [THz] = 760.154171 [cm-1]</div><div> ***********************************************************************</div><div><br></div><div><span style="font-size:16px">It has 16 atoms then we have 48 frequencies, 3 acoustic (which tend to 0) and 46 optical frenquencies, but how can I differentiate between longitudinal and transverse waves frequency?</span><br></div><div><br></div></div><div>with respectful regards<br></div><div>Said Asma</div><div style="color:rgb(0,0,0);font-family:'times new roman','new york',times,serif;font-size:14px"><div style="font-family:garamond,'new york',times,serif;font-size:16px;line-height:normal;background-color:transparent;font-style:italic"><br>***********************************************</div><span class="HOEnZb"><font color="#888888"><div style="line-height:normal"><span style="background-color:rgb(255,255,255)"><span style="color:rgb(69,69,69);font-style:italic"><span style="font-family:garamond,'new york',times,serif;font-size:16px"><span style="color:rgb(0,0,0);font-style:normal"><span style="font-style:italic">Said
Asma,</span></span><span style="color:rgb(0,0,0);font-style:normal"><span style="font-style:italic"> </span></span></span></span></span></div><div style="line-height:normal;color:rgb(0,0,0);font-size:16px;font-family:garamond,'new york',times,serif;background-color:transparent;font-style:italic"><span style="background-color:rgb(255,255,255)"><span style="color:rgb(69,69,69);font-style:italic"><span style="font-family:garamond,'new york',times,serif;font-size:16px"><span style="color:rgb(0,0,0);font-style:normal">PhD. LMCN,</span></span></span></span></div><div style="line-height:normal;color:rgb(0,0,0);font-size:16px;font-family:garamond,'new york',times,serif;background-color:transparent;font-style:normal"><span style="background-color:rgb(255,255,255)"><span style="color:rgb(69,69,69);font-style:italic"><span style="font-family:garamond,'new york',times,serif;font-size:16px"><span style="color:rgb(0,0,0);font-style:normal"><font>Faculté des sciences de Monastir,</font></span></span><br></span><span style="font-style:italic;font-family:garamond,'new york',times,serif;font-size:16px">Avenue de l'environnement
5019-Monastir,Tunisie</span></span></div><div><span style="background-color:rgb(255,255,255)"><span style="font-size:16px;line-height:normal;font-style:italic;font-family:garamond,'new york',times,serif">E-mail :<a rel="nofollow">saidasma1987@yahoo.fr</a></span></span></div><div><span style="background-color:rgb(255,255,255);font-family:garamond,'new york',times,serif;font-size:16px">***********************************************</span></div></font></span></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div><br>_______________________________________________<br>
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