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<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Dear Paolo:</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Â </span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Thank you so much for helping. </span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">I tried grep -n </span><span style="font-size:11pt">“<span lang="EN-US">stress</span>â€<span lang="EN-US"> Si.rx.out</span></span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">What I got is below:</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">[hongtang@login4 results]$ grep -n "stress" Si.rx.out</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">1797:Â Â Â Â entering subroutine stress ...</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">1799:Â Â Â Â Message from routine stress:</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">1800:Â Â Â Â Meta-GGA and stress not implemented</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">3128:Â Â Â Â entering subroutine stress ...</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">3130:Â Â Â Â Message from routine stress:</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">3131:Â Â Â Â Meta-GGA and stress not implemented</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">4442:Â Â Â Â entering subroutine stress ...</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">4444:Â Â Â Â Message from routine stress:</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">4445:Â Â Â Â Meta-GGA and stress not implemented</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">5764:Â Â Â Â entering subroutine stress ...</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">5766:Â Â Â Â Message from routine stress:</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">5767:Â Â Â Â Meta-GGA and stress not implemented</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">7555:Â Â Â Â entering subroutine stress ...</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">7557:Â Â Â Â Message from routine stress:</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">7558:Â Â Â Â Meta-GGA and stress not implemented</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Â </span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">It shows MetaGGA and stress not implemented. Maybe this is the
problem there. </span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">I want to do structure optimization with metagga functional (TPSS
here). In VASP, I know the pseudo potentials (pps) of the elements should
have </span><span style="font-size:11pt">“<span lang="EN-US">kinetic energy density</span>â€<span lang="EN-US">. In quantum espresso, I don</span>’<span lang="EN-US">t know
what should be in the pps. The pps I chose for Si is for tpss, as you can see
from the input file. </span></span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Â </span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Please explain to me a bit more clear how to fix the problem. I appreciate
your helps very much. </span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Â </span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Hong Tang</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Temple University</span></p>
<p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Philadelphia, PA 19122 US</span></p>
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