<div dir="ltr"><div><div><div><div> More precisely,<br>For phonon calculation to resume after stopping, the following errors were obtained:<br><br>    Representation # 13 mode #  13<br><br>     Self-consistent Calculation<br>     kpoint   1 ibnd  22 solve_linter: root not converged        NaN<br>     kpoint   2 ibnd  22 solve_linter: root not converged        NaN<br>     kpoint   3 ibnd  22 solve_linter: root not converged        NaN<br>.........<br>.........<br>.........<br>     kpoint 286 ibnd  22 solve_linter: root not converged        NaN<br>     kpoint 287 ibnd  22 solve_linter: root not converged        NaN<br>     kpoint 288 ibnd  22 solve_linter: root not converged        NaN<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine broyden (3):<br>     factorization<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br><br></div><br></div>And I would have to remove _ph0 directory for the calculation to start afresh again.<br><br></div>Thanks,<br></div>Isaiah<br><div><div><div><div><br></div></div></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, Nov 27, 2017 at 8:17 PM, Isaiah Moses <span dir="ltr"><<a href="mailto:imoses87@gmail.com" target="_blank">imoses87@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div><div><div><div><div>Dear all,<br></div>I've tried to split phonon calculation among the irreps, collect the results to obtain the dynamical matrix using qe-6.2 (optimized tetrahedron method) as I would usually do with qe-6.1 and qe-5.4.<br><br></div>With the recover=.true., the calculation would not use the results of the different irreps that had already been computed but instead started all over the whole calculation again.<br><br></div>I've tried to just stop phonon calculation (without splitting) and resubmit again and the same thing occurred, the whole calculation started all over.<br><br></div>It seems there is a problem with the recover=.true. option in qe-6.2 release.<br><br></div>Any assistant in getting out of this shall be appreciated.<br><br></div>I appreciate your anticipated response,<br></div>Isaiah<span class="HOEnZb"><font color="#888888"><br clear="all"><div><div><div><div><div><div><div><div><div><br>-- <br><div class="m_6550141055148221644gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><div>Isaiah Abu Moses<br></div><div>Graduate Student,<br></div>Physics Department,<br></div>University of Ibadan,<br></div>Nigeria<br></div></div></div></div></div></div>
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</blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><div>Isaiah Abu Moses<br></div><div>Graduate Student,<br></div>Physics Department,<br></div>University of Ibadan,<br></div>Nigeria<br></div></div></div></div></div></div>
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