<html><head><meta http-equiv="Content-Type" content="text/html; charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">By the way, stress was coded long, long, ago by Stefano de Gironcoli in linear response: <a href="https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.62.2853" class="">https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.62.2853</a><div class="">The stress code has most likely gone lost, though Stefano may still have some relics.</div><div class="">Forces should still be there, as they are used to compute effective charges.</div><div class="">SB</div><div class=""><br class=""><div><br class=""><blockquote type="cite" class=""><div class="">On 26 Mar 2018, at 20:23, Ronald Cohen <<a href="mailto:rcohen@carnegiescience.edu" class="">rcohen@carnegiescience.edu</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><meta http-equiv="Content-Type" content="text/html; charset=us-ascii" class=""><div style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div class=""><blockquote type="cite" class=""><div class=""><div style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div class=""><div class=""><blockquote type="cite" class=""><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><table class="gmail-Bs gmail-nH gmail-iY" cellpadding="0" style="padding: 0px; border-collapse: collapse; width: 986px; font-family: arial, sans-serif; font-size: inherit; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255);"><tbody class=""><tr class=""><td class="gmail-yM gmail-Bu" style="font-family:arial,sans-serif;margin:0px;vertical-align:top;padding:0px;width:0px;background:rgb(255,255,255)"></td><td class="gmail-Bu" style="font-family:arial,sans-serif;margin:0px;vertical-align:top;padding:0px;background:rgb(255,255,255)"><div class="gmail-nH gmail-if" style="margin:0px 8px 0px 0px"><div class="gmail-nH gmail-aHU" style=""><div class="gmail-nH gmail-hx" style="background-color:transparent;color:rgb(34,34,34);min-width:502px;padding:4px 0px"><div class="gmail-nH"><div class="gmail-ie gmail-nH gmail-oy8Mbf gmail-h7" tabindex="-1" style="clear:both;padding-bottom:0px;max-width:100000px;outline:none"><div class="gmail-Bk" style="margin-bottom:0px;border-width:0px;border-top-style:solid;border-right-style:initial;border-bottom-style:initial;border-left-style:initial;border-top-color:rgb(239,239,239);border-right-color:initial;border-left-color:initial;border-bottom-color:initial;border-radius:0px;width:978px;float:none"><div class="gmail-G3 gmail-G2" style="padding-top:0px;background-color:transparent;border-width:1px 0px 0px;border-right-style:initial;border-bottom-style:initial;border-left-style:initial;border-right-color:initial;border-bottom-color:rgb(216,216,216);border-left-color:initial;border-top-style:solid;border-top-color:rgb(216,216,216);border-radius:0px;margin-bottom:0px;margin-left:0px;margin-right:0px"><div class=""><div id="gmail-:299" class=""><div class="gmail-adn gmail-ads" style="border-left:1px solid transparent;padding-bottom:20px;padding-left:8px"><div class="gmail-gs" style="margin-left:44px"><div id="gmail-:29c" class="gmail-gt gmail-ii" style="font-size:12.8px;direction:ltr;margin:5px 15px 0px 0px;padding-bottom:5px"><div id="gmail-:29b" class="gmail-a3s gmail-aXjCH gmail-m162149794080d7a2" style="overflow:hidden"><div dir="ltr" class="">I am wondering the status of including stresses (and forces?) in applied electric fields. I find the following code:<div class=""><div class=""> !</div><div class=""> ! Electric field contribution</div><div class=""> !</div><div class=""> sigmael(:,:)=0.d0</div><div class=""> sigmaion(:,:)=0.d0</div><div class=""> !the following is for calculating the improper stress tensor</div><div class="">! call stress_bp_efield (sigmael )</div><div class="">! call stress_ion_efield (sigmaion )</div><div class=""><br class=""></div><div class="">but the commented out routines do not exist. Also, the berrys_phase forces contribution seems to include only the force on the ion core. Any comments on this would be appreciated, especially the name of the person working on this.</div><div class=""><br class=""></div><div class="">Sincerely,</div><div class=""><br class=""></div><div class="">Ron</div><div class=""><br class=""></div><div class=""><div class="gmail-m_-6567157903108846748gmail_signature">---<br class="">Ronald Cohen<br class="">Geophysical Laboratory<br class="">Carnegie Institution<br class="">5251 Broad Branch Rd., N.W.<br class="">Washington, D.C. 20015<br class=""><a href="mailto:rcohen@carnegiescience.edu" target="_blank" style="color:rgb(17,85,204)" class="">rcohen@carnegiescience.edu</a><br class="">office:<span class=""> </span><a href="tel:(202)%20478-8937" value="+12024788937" target="_blank" style="color:rgb(17,85,204)" class="">202-478-8937</a><br class="">skype: ronaldcohen<br class=""><a href="https://twitter.com/recohen3" target="_blank" style="color:rgb(17,85,204)" class="">https://twitter.com/recohen3</a><br class=""><a href="https://www.linkedin.com/profile/view?id=163327727" target="_blank" style="color:rgb(17,85,204)" class="">https://www.linkedin.com/<wbr class="">profile/view?id=163327727</a></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></td><td class="gmail-yM gmail-Bu" style="font-family:arial,sans-serif;margin:0px;vertical-align:top;padding:0px;width:0px;background:rgb(255,255,255)"><div class="gmail-nH" style="width:0px"></div></td></tr></tbody></table><div class=""><div class="gmail_signature" data-smartmail="gmail_signature"><br class=""></div></div>
</div>
</div></blockquote></div><br class=""></div></div></div></blockquote></div><br class=""></div>_______________________________________________<br class="">users mailing list<br class=""><a href="mailto:users@lists.quantum-espresso.org" class="">users@lists.quantum-espresso.org</a><br class="">https://lists.quantum-espresso.org/mailman/listinfo/users</div></blockquote></div><br class=""></div></body></html>