<html><head></head><body><div class="yahoo-style-wrap" style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:13px;"><div dir="ltr" data-setdir="false">Dear QE experts,</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">I have a question regarding the tot_charge tag available in pw.x (but not in the lists of input tags for pw.x)</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">Suppose i use this tag to remove 0.5 electrons from my cell during the scf calculation with pw.x (simulating a 0.5 hole doping)</div><div dir="ltr" data-setdir="false">and then I want to run a phonon calculation with ph.x.</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">Will the phonon calculation be performed as I suppose it to do, i.e, with 0.5 electrons removed?</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">or will it neglect it completely and compute the cell with all of its electrons originally?</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">In other words, I want to ask whether it is possible to compute the corresponding phonons in ph.x in a simulated electron/hole-doped cells using the tot_charge tag in pw.x</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">Thank you,</div><div dir="ltr" data-setdir="false">Best regards,</div><div dir="ltr" data-setdir="false">Alpin N. Tatan</div><div dir="ltr" data-setdir="false">The University of Tokyo</div></div></body></html>