Dear abinit developers,
I am trying to use the Bethe-Saltpeter equation in order to get a many-body dielectric function. However, I am running into the following error at the beginning of the BSE dtset. Here’s the error message:
--- !ERROR src_file: m_gsphere.F90 src_line: 515 mpi_rank: 0 message: | Found 198 G-G0 vectors falling outside the FFT box. This is not allowed ...
I am not sure why this happens and am wondering what would solve this. I’ll append the input file for both the GW and BSE dtsets (split calculations) and their log files.
I used ecuteps = 6 for the screening matrix but 8 (temporarily) for the BSE calculation. In my understanding, as this variable is not used the same way for both, I don’t think that is the cause but maybe it is?
screening_run.log (299.5 KB)
screening_run.abi (1.1 KB)
bs_loband10_nband20.log (58.1 KB)
bs_loband10_nband20.abi (1.2 KB)