[Wien] How to compute the nonlinear optical susceptibility tensor by WIEN2k10?

2010-08-31 Thread Peter Blaha
It is a non-supported option. The code is from C.Ambrosch-Draxl. conghj schrieb: Thank you for your advice! But I am still very much puzzled as to why there are so many jobs concerning the calculation of nonlinear optical properties in the on-line paper database. Could someone show me how

[Wien] How to compute the nonlinear optical susceptibility tensor by WIEN2k10?

2010-08-28 Thread conghj
Thank you for your advice! But I am still very much puzzled as to why there are so many jobs concerning the calculation of nonlinear optical properties in the on-line paper database. Could someone show me how these were done? Thanks once again! H.J. Cong Institute of Crystal Materials