I just want to ask if my input is correct or not for the EELS calculation at a q point which is not zero.
Please see attached output file, which also shows the input parameters.
Particularly, Please note the following three lines. It says optics. But I am doing q is not zero. Does q not zero still belong to the optics? Since we say, for optic calculations, q is zero. Is my calculation correct for the goal that I want to get the EELS for a q is not zero?
Code: Select all
.-Input file run_in_ALDA
| optics %% [R] Linear Response optical properties
| chi %% [R][CHI] Dyson equation for Chi.
| tddft %% [R][K] Use TDDFT kernel