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<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif">Dear QE forum,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif">I had the following 2 problems related to split irrep in ph.x calculation and wondering how to solve them. I’m following the GRID_example.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif"><o:p> </o:p></span></p>
<ol style="margin-top:0cm" start="1" type="1">
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<span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif">There’s always
<b><i><u>directory mismatch</u></i></b><u> </u>problem of some q and irr, when I split irrep. For example, for q=2,irr=1, the tmp dir is ‘./tmp/1.2’, but in its output file, it reads other tmp directory, like ‘./tmp/3.7’. I already set low_directory_check=.true.,
but this doesn’t work. Sometimes, it even reports namelist error in the input file but there’s no. My current solution is to write a check script to find these failed jobs and resubmit them.
<o:p></o:p></span></li></ol>
<p class="MsoListParagraph" style="margin-left:18.0pt"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif"><o:p> </o:p></span></p>
<ol style="margin-top:0cm" start="2" type="1">
<li class="MsoListParagraph" style="margin-left:-18.0pt;mso-list:l0 level1 lfo1">
<span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif">There’s always
<i><u>‘<b>Too few bands at k point xxx’</b></u></i> warning when I collect the result, even if I increased nbnd a lot. My system has 124 wfcs, I increased nbnd up to 256 but the warning is still present. But there’s no such warning if I split q-point only or
don’t split. I did a convergence test w.r.t nbnd on a small q-point grid, and in my system the phonon dispersion converges (or same as no split result) at nbnd=192, although the warning is still there. I’m not sure if the result is still correct for denser
parameters.<o:p></o:p></span></li></ol>
<p class="MsoListParagraph"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif">Is there a way to fully avoid the problems above? I attach some input/outputs in zip file here.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif">Best,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif">Yujia
<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif">Rutgers University.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman",serif"><o:p> </o:p></span></p>
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