Since I wanted to analyze the optical spectrum of RPA, I switched to e-h space, But the two spectra I got from both G-space and e-h space are comparatively different. I used the same value for BSENGexx and NGsBlkXd and I used coupling also. The only difference is BSE bands. I tried to include all the bands (345), but the calculation did not work. Therefore I reduced the bands up to 20 (occupied 10, unoccupied 10).
Is there a way to include all the bands? Is it possible to get a spectrum close to the G-space spectrum by reducing the number of bands?
Here are the details of the bands in my system:
I am not sure, how should I get a proper ratio for BSE bands parameter. Should I include more empty bands than filled bands in the ratio?[X] Filled Bands : 288
[X] Empty Bands : 289 345
Here I am attaching my report files for both calculations.
And If it is a memory problem, I am not sure how I distribute the memory for the calculation.
Thanks in advance.