[QE-developers] Non linear susceptibility

[フォンスポール Ｊ]

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!


Paul Fons
paulfons at keio.jp
Tel. ‭045 566 1534‬

Keio University, Faculty of Science and Technology, Department of Electronics and Information Engineering

〒223-8522 3-14-1 Hiyoshi, Kohoku-ku, Yokohama, Kanagawa 223-8522, Japan
Keio University Faculty of Science and Technology Yagami Campus.

〒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




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