<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Hi Ron.<div class=""><br class=""></div><div class="">Don’t know the answer to your question, but just be advised that the Quantum ESPRESSO Foundation (<a href="http://foundation.quantum-espresso.org" class="">http://foundation.quantum-espresso.org</a>) offers a service of “implementation on demand”. If you want a quote, please send a request to <a href="mailto:foundation@quantum-espresso.org" class="">foundation@quantum-espresso.org</a>.</div><div class=""><br class=""></div><div class="">Of course, the above does not exclude that you prefer to work “the usual way” and choose to contact and collaborate with individual developers.</div><div class=""><br class=""></div><div class="">Best regards,</div><div class="">Stefano</div><div class=""><br class=""><div><br class=""><blockquote type="cite" class=""><div class="">On 15 Mar 2018, at 12:03, Cohen, Ronald <<a href="mailto:rcohen@carnegiescience.edu" class="">rcohen@carnegiescience.edu</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="gmail-adn gmail-ads" style="border-left-width: 1px; border-left-style: solid; border-left-color: transparent; padding-bottom: 20px; padding-left: 8px; color: rgb(34, 34, 34); 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);"><div class="gmail-gs" style="margin-left:44px"><div id="gmail-:284" class="gmail-gt gmail-ii" style="font-size:12.8px;direction:ltr;margin:5px 15px 0px 0px;padding-bottom:5px"><div id="gmail-:289" class="gmail-a3s gmail-aXjCH gmail-m16214cdcd04d5e4b" style="overflow:hidden"><div dir="ltr" class=""><table class="gmail-m_-4374861725050318247gmail-iY gmail-m_-4374861725050318247gmail-Bs gmail-m_-4374861725050318247gmail-nH" cellpadding="0" style="padding: 0px; border-collapse: collapse; width: 986px; font-family: arial, sans-serif; font-size: 14px; 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-m_-4374861725050318247gmail-Bu" style="font-family:arial,sans-serif;margin:0px;vertical-align:top;padding:0px;background:rgb(255,255,255)"><div class="gmail-m_-4374861725050318247gmail-nH gmail-m_-4374861725050318247gmail-if" style="margin:0px 8px 0px 0px"><div class="gmail-m_-4374861725050318247gmail-nH gmail-m_-4374861725050318247gmail-aHU"><div class="gmail-m_-4374861725050318247gmail-nH gmail-m_-4374861725050318247gmail-hx" style="background-color:transparent;color:rgb(34,34,34);min-width:502px;padding:4px 0px"><div class="gmail-m_-4374861725050318247gmail-nH"><div class="gmail-m_-4374861725050318247gmail-oy8Mbf gmail-m_-4374861725050318247gmail-ie gmail-m_-4374861725050318247gmail-h7 gmail-m_-4374861725050318247gmail-nH" style="clear:both;padding-bottom:0px;max-width:100000px;outline:none"><div class="gmail-m_-4374861725050318247gmail-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-m_-4374861725050318247gmail-G3 gmail-m_-4374861725050318247gmail-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-m_-4374861725050318247gmail-:299" class=""><div class="gmail-m_-4374861725050318247gmail-adn gmail-m_-4374861725050318247gmail-ads" style="border-left:1px solid transparent;padding-bottom:20px;padding-left:8px"><div class="gmail-m_-4374861725050318247gmail-gs" style="margin-left:44px"><div id="gmail-m_-4374861725050318247gmail-:29c" class="gmail-m_-4374861725050318247gmail-gt gmail-m_-4374861725050318247gmail-ii" style="font-size:12.8px;direction:ltr;margin:5px 15px 0px 0px;padding-bottom:5px"><div id="gmail-m_-4374861725050318247gmail-:29b" class="gmail-m_-4374861725050318247gmail-m162149794080d7a2 gmail-m_-4374861725050318247gmail-a3s gmail-m_-4374861725050318247gmail-aXjCH" 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_-4374861725050318247gmail-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/profi<wbr class="">le/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-m_-4374861725050318247gmail-yM gmail-m_-4374861725050318247gmail-Bu" style="font-family:arial,sans-serif;margin:0px;vertical-align:top;padding:0px;width:0px;background:rgb(255,255,255)"><div class="gmail-m_-4374861725050318247gmail-nH" style="width:0px"></div></td></tr></tbody></table><div class="gmail-yj6qo"></div><div class="gmail-adL"><div class="gmail-m_-4374861725050318247gmail_signature"><br class=""></div></div><div class="gmail-adL"></div></div><div class="gmail-adL"></div></div></div><div class="gmail-hi" style="border-bottom-left-radius:1px;border-bottom-right-radius:1px;padding:0px;width:auto;background:rgb(242,242,242);margin:0px"></div></div><div class="gmail-ajx" style="clear:both"></div></div><div class="gmail-gA gmail-gt gmail-acV" style="font-size:12.8px;padding:0px;width:auto;border-bottom-left-radius:0px;border-bottom-right-radius:0px;border-top:none;margin:0px;background:rgb(255,255,255);color:rgb(34,34,34);font-family:arial,sans-serif;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;text-decoration-style:initial;text-decoration-color:initial"><div class="gmail-xu gmail-gB" style="border-top:0px;padding:0px"><div class="gmail-ip gmail-iq" style="clear:both;margin:0px 5px 0px 0px;padding:12px 0px 0px 8px;border-top:1px solid rgb(216,216,216)"><br class="gmail-Apple-interchange-newline"></div></div></div><div class=""><div class="gmail_signature" data-smartmail="gmail_signature"><br class=""></div></div>
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