<div dir="ltr"><div dir="ltr"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">You should use wf_collect= true for scf calculations. make sure you have g-vectors saved in your output. Follow this tutorial,</div><div class="gmail_default"><font face="arial, helvetica, sans-serif"><a href="http://www.yambo-code.org/wiki/index.php?title=First_steps:_a_walk_through_from_DFT_to_optical_properties">http://www.yambo-code.org/wiki/index.php?title=First_steps:_a_walk_through_from_DFT_to_optical_properties</a></font><br></div><div class="gmail_default"><font face="arial, helvetica, sans-serif"><br></font></div><div class="gmail_default"><font face="arial, helvetica, sans-serif">HTH,</font></div><div class="gmail_default"><font face="arial, helvetica, sans-serif">Manu</font></div></div></div><br><div class="gmail_quote"><div dir="ltr">On Sat, Nov 17, 2018 at 5:48 AM foudil zaabar <<a href="mailto:foufou191085@hotmail.fr">foufou191085@hotmail.fr</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">




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<p style="margin-top:0;margin-bottom:0">dear all</p>
<p style="margin-top:0;margin-bottom:0">can any one help me  to know how to get data.save for yambo code  using qe-6.3<br>
</p>
<p style="margin-top:0;margin-bottom:0">i want to calculat scf and nscf using <span>qe-6.3</span>, to get the data base ""prefix.save ""  for yambo calculation but </p>
<p style="margin-top:0;margin-bottom:0"><span>i have got only the wavefunction without the k points (<span id="m_-3558028070882079702x_x_result_box" class="m_-3558028070882079702x_x_short_text" lang="en"><span>eigenvalues</span></span>)<span id="m_-3558028070882079702x_x_result_box" class="m_-3558028070882079702x_x_short_text" lang="en"><span></span></span></span></p>
<p style="margin-top:0;margin-bottom:0"><span>  </span>i used the following flags in the control namelist <span></span></p>
<p style="margin-top:0;margin-bottom:0">for scf <br>
</p>
<div>&CONTROL<br>
  calculation = 'scf',<br>
  pseudo_dir  = '/local/funsilab/karim/foud/outil',<br>
  restart_mode='from_scratch',<br>
  prefix='mose2',<br>
  outdir      = './test',<br>
  etot_conv_thr = 1.0D-6<br>
  verbosity = 'high' ,<br>
<br>
</div>
<div>#### for nscf###""<br>
/</div>
<div>calculation = 'nscf',<br>
  pseudo_dir  = "/local/funsilab/karim/foud/outil",<br>
  restart_mode='from_scratch',<br>
  prefix='mose2',<br>
  outdir      = './test',<br>
  etot_conv_thr = 1.0D-6<br>
  wf_collect= .true.<br>
  verbosity = 'high' ,</div>
<div>############</div>
<div><span id="m_-3558028070882079702x_x_result_box" class="m_-3558028070882079702x_x_short_text" lang="en"><span>knowing, that i have used the same input for  qe-5.4.0 but have gote the point k and the wavefunction</span></span></div>
<div><span id="m_-3558028070882079702x_x_result_box" class="m_-3558028070882079702x_x_short_text" lang="en"><span><br>
</span></span></div>
<div><span id="m_-3558028070882079702x_x_result_box" class="m_-3558028070882079702x_x_short_text" lang="en"><span>best regards<br>
</span></span></div>
<div><br>
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<div>zaabar foudil <br>
</div>
<div>university of bejaia <br>
</div>
algeria</div>
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