<div dir="ltr">Dear QE team,<div><br></div><div>

<div class="gmail-" id="gmail-yui_3_14_1_1_1520773427222_1187" style="color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:16px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:left;text-indent:0px;text-transform:none;white-space:pre-wrap;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><div class="gmail-public-DraftStyleDefault-block gmail-public-DraftStyleDefault-ltr" id="gmail-yui_3_14_1_1_1520773427222_1186" style="font-size:0.875rem"><span><span>I am using Quantum espresso and I want to obtain deformation potential of a honey comb structure. I just saw in the QE user guide that these are the steps:</span></span></div></div><div class="gmail-" style="color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:16px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:left;text-indent:0px;text-transform:none;white-space:pre-wrap;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><div class="gmail-public-DraftStyleDefault-block gmail-public-DraftStyleDefault-ltr" style="font-size:0.875rem"><span><span>1. Run pw.x with occupation = "tetrahedra_opt" and K_POINT automatic.</span></span></div></div><div class="gmail-" style="color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:16px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:left;text-indent:0px;text-transform:none;white-space:pre-wrap;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><div class="gmail-public-DraftStyleDefault-block gmail-public-DraftStyleDefault-ltr" style="font-size:0.875rem"><span><span>2. Run ph.x with lshift_q = .true. and electron_phonon = "" (or unset it) to generate the dynamical matrix and the deformation potential (in _ph*/{prefix}_q*/) of each q.</span></span></div></div><div class="gmail-" style="color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:16px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:left;text-indent:0px;text-transform:none;white-space:pre-wrap;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><div class="gmail-public-DraftStyleDefault-block gmail-public-DraftStyleDefault-ltr" style="font-size:0.875rem"><span><br></span></div></div><div class="gmail-" style="color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:16px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:left;text-indent:0px;text-transform:none;white-space:pre-wrap;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><div class="gmail-public-DraftStyleDefault-block gmail-public-DraftStyleDefault-ltr" style="font-size:0.875rem"><span><span>So I run my scf code and then run the ph input file with specifying a q point (0.333333 0.577370 0.0). I have a gra.dyn in the code folder and some files with xml, wfc, drho, and dv in the tmp_dir. Where can I find the deformation potentials and with what name?</span></span></div></div>

</div><div><br></div><div>Yours,</div><div>Mohammad Mahdi Khatami</div></div>