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<p class="MsoNormal"><span lang="EN-US">Dear Lorenzo,</span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Thanks for your suggestion. When I compile QE6.6, an error happens as follows:</span></p>
<p class="MsoNormal"><span lang="EN-US">configure error fortran could not compile .f90 files</span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">I have checked the gfortran in my PC:</span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt">GNU Fortran (GCC) 4.8.3 20140911 (Red Hat 4.8.3-9)<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt">And its direction is /usr/bin/gfortran<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Thanks!<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Best regards,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Clarence<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
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<p class="MsoNormal" style="border:none;padding:0cm"><b><span lang="EN-US">From: </span>
</b><span lang="EN-US"><a href="mailto:paulatz@gmail.com">Lorenzo Paulatto</a><br>
<b>Sent: </b>2020</span>年<span lang="EN-US">10</span>月<span lang="EN-US">13</span>日<span lang="EN-US"> 1:00<br>
<b>To: </b><a href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a><br>
<b>Subject: </b>Re: [QE-users] Error in ph.x</span></p>
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<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:SimSun"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">use qe6.5 or 6.6<br>
regards<br>
<br>
On 10/12/20 6:52 PM, LEUNG Clarence wrote:<br>
> The Version of QE I used is QE630. Thanks.<br>
> <br>
> <br>
> <br>
> -------- Original message --------<br>
> From: LEUNG Clarence <liangxy123@hotmail.com><br>
> Date: 13/10/2020 00:50 (GMT+08:00)<br>
> To: users@lists.quantum-espresso.org<br>
> Subject: [QE-users] Error in ph.x<br>
> <br>
> Dear QEuser,<br>
> <br>
> Recently, I come across a problem in runing ph.x as follow:<br>
> <br>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
> Error in routine phq_readin (1):<br>
> The phonon code with LDA+U is not yet available<br>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
> <br>
> This is a system must include DFT+U method. If I do not use DFT+U in <br>
> scf, it cannot converge even at 1000 steps.<br>
> <br>
> It is very appricated that give me some advices.<br>
> <br>
> Best regards,<br>
> Clarence<br>
> Postdoc<br>
> Department of Materials Science and Engineering<br>
> City Univeristy of Hong Kong<br>
> <br>
> <br>
> _______________________________________________<br>
> Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu">www.max-centre.eu</a>)<br>
> users mailing list users@lists.quantum-espresso.org<br>
> <a href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a><br>
> <br>
<br>
-- <br>
Lorenzo Paulatto - Paris<br>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu">www.max-centre.eu</a>)<br>
users mailing list users@lists.quantum-espresso.org<br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;font-family:SimSun"><o:p> </o:p></span></p>
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