<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body style="overflow-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;">I was recently asked by a colleague to calculate the non-linear susceptibility for a defect in diamond. I have taught practicals in Quantum Espresso for students, but I am primarily a Vasp user and my interactions have been with the pw.x code. I was curious if there is any code in the QE suite that can calculate χ2. I should note that I am currently trying to use abinit to calculate the non-linear susceptibility, but I have encountered some bugs in the code (I guess it is not a popular quantity to calculate!). I there any suggestions of other code that can calculate χ2 ? Thanks for your help!<div><br></div><div><br></div><div><div><div>
<meta charset="UTF-8"><div>Paul Fons<br>paulfons@keio.jp<br>Tel. 045 566 1534<br><br>Keio University, Faculty of Science and Technology, Department of Electronics and Information Engineering<br><br>〒223-8522 3-14-1 Hiyoshi, Kohoku-ku, Yokohama, Kanagawa 223-8522, Japan<br>Keio University Faculty of Science and Technology Yagami Campus.<br><br>〒223-8522 横浜市港北区日吉3-14-1 慶應義塾大学理工学部電気情報工学科<br><br><br><br></div>
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