<div dir="ltr"><div dir="ltr">Dear QE community,<div><br></div><div>I am wondering if it is possible to retrieve the pseudopotential generation information of the Ge pseudopotential Ge.pz-hgh.UPF which can be downloaded on the QE pseudopotential page?</div><div><br></div><div>In the PP_INFO section, it states</div><div><br></div><div><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"> Generation configuration: not available.
Converted from CPMD format using cpmd2upf v.5.0.1 - PG 10Jul201</pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><font face="arial, helvetica, sans-serif"><br></font></pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><font face="arial, helvetica, sans-serif">Which prompted me to check the CPMD website page</font></pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><span style="font-family:arial,sans-serif"><a href="http://cpmd.org/downloadable-files/no-authentication/pseudo-potentials/germanium" target="_blank">http://cpmd.org/downloadable-<wbr>files/no-authentication/<wbr>pseudo-potentials/germanium</a></span><br></pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><font face="arial, helvetica, sans-serif">but there I do not see a Ge Goedecker-Teter-Hutter PP generated with the PZ-LDA functional (the closest I can see is a GTH PP generated with the BLYP functional). </font></pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><font face="arial, helvetica, sans-serif"><br></font></pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><font face="arial, helvetica, sans-serif">Thanks very much,</font></pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><font face="arial, helvetica, sans-serif"><br></font></pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><font face="arial, helvetica, sans-serif">Gabriel Greene-Diniz</font></pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><font face="arial, helvetica, sans-serif">Research Associate,</font></pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><font face="arial, helvetica, sans-serif">Atomistic Simulation Centre,</font></pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><font face="arial, helvetica, sans-serif">School of Mathematics and Physics,</font></pre><pre style="color:rgb(0,0,0);word-wrap:break-word;white-space:pre-wrap"><font face="arial, helvetica, sans-serif">Queen's University Belfast</font></pre></div><div><font face="arial, helvetica, sans-serif"><br></font></div></div></div>