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<div><span></span>Dear all, </div><div>I met an error when I calculate phonon using lda+U mode. </div><div><div> Atomic wfc used for the DFT+U projector are NOT orthogonalized</div><div><br></div><div> Calculating the dnsbare matrix...</div><div>-------------------------------------------------------</div><div>Primary job terminated normally, but 1 process returned</div><div>a non-zero exit code.. Per user-direction, the job has been aborted.</div><div>-------------------------------------------------------</div><div>--------------------------------------------------------------------------</div><div>mpirun detected that one or more processes exited with non-zero status, thus causing</div><div>the job to be terminated. The first process to do so was:</div><div><br></div><div> Process name: [[22288,1],2]</div><div> Exit code: 174</div><div>--------------------------------------------------------------------------</div></div><div><br></div><div>Can any expert tell me how to get it correct? I am using version 6.4.1.</div><div><br></div><div>Best, </div><div><br></div><div>shaofeng</div><div><br></div><div><br></div>
<div><br></div><hr style="WIDTH: 210px; HEIGHT: 1px" color="#b5c4df" size="1" align="left">
<div><span><div style="margin: 10px;"><div><span style="font-size: 13px;">Shaofeng Wang</span></div><div><span style="font-size: 13px;">Ph.D</span></div><div><span style="font-size: 13px;">Email: wangshaofeng@iae.ac.cn</span></div><div><!--[if gte mso 9]><xml>
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<p class="MsoNormal" style="line-height: 200%; margin: 0cm 0cm 0.0001pt; text-align: justify;"><span lang="EN-US" style="line-height: 200%; font-size: 13px;">Key
Laboratory of Pollution Ecology and Environmental Engineering</span></p><p class="MsoNormal" style="line-height: 200%; margin: 0cm 0cm 0.0001pt; text-align: justify;"><span lang="EN-US" style="line-height: 200%; font-size: 13px;">Institute of
Applied Ecology</span></p><p class="MsoNormal" style="line-height: 200%; margin: 0cm 0cm 0.0001pt; text-align: justify;"><span lang="EN-US" style="line-height: 200%; font-size: 13px;">Chinese Academy of Sciences</span></p><p class="MsoNormal" style="line-height: 200%; margin: 0cm 0cm 0.0001pt; text-align: justify;"><span lang="EN-US" style="line-height: 200%;"><span style="font-size: 13px;">China</span><font face="Times New Roman, serif" style="font-size: 12pt;"><o:p></o:p></font></span></p>
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