Dear users,<br>I am doing phonon calculation of anti-fluorite structure of Li2S. I just want to ask what q-points I have to put in <a href="http://matdyn.in">matdyn.in</a> file to get a smooth PDC curve.<br><br>In <a href="http://Li2S.ph.in">Li2S.ph.in</a> file I am using 4x4x4 grid with 8 q-points<br clear="all">
<br>   0.000000000000000E+00   0.000000000000000E+00   0.000000000000000E+00<br>  -0.250000000000000E+00   0.250000000000000E+00  -0.250000000000000E+00<br>   0.500000000000000E+00  -0.500000000000000E+00   0.500000000000000E+00<br>
   0.000000000000000E+00   0.500000000000000E+00   0.000000000000000E+00<br>   0.750000000000000E+00  -0.250000000000000E+00   0.750000000000000E+00<br>   0.500000000000000E+00   0.000000000000000E+00   0.500000000000000E+00<br>
   0.000000000000000E+00  -0.100000000000000E+01   0.000000000000000E+00<br>  -0.500000000000000E+00  -0.100000000000000E+01   0.000000000000000E+00<br><br>So for PDC curve how can i take the high symmetry directions<br>-- <br>
Bipul Rakshit<br>PhD Student, <br>Barkatullah University,<br>Bhopal 462026,<br>MP, India<br>