2d-cutoff
Posted: Fri Jan 31, 2025 4:22 pm
Dear all,
When I use TD-BSE method to calculate shg, it is divided into three steps. The first step is to remove symmetry, the second step is to calculate collision, and the third step is to calculate shg. When I calculate two-dimensional system, I need to add "-r" to the input file in the step of collision calculation. Do I need to add "-r" to generate the input file when calculating shg in step 3? If only the shg of IPA for two-dimensional materials is calculated, does it not need to add "-r"?
I appreciate any guidance and tutorial on that!
Best,
sunxl
When I use TD-BSE method to calculate shg, it is divided into three steps. The first step is to remove symmetry, the second step is to calculate collision, and the third step is to calculate shg. When I calculate two-dimensional system, I need to add "-r" to the input file in the step of collision calculation. Do I need to add "-r" to generate the input file when calculating shg in step 3? If only the shg of IPA for two-dimensional materials is calculated, does it not need to add "-r"?
I appreciate any guidance and tutorial on that!
Best,
sunxl