Dear Developers,

I want to calculate the BSE on top of G0W0 for my structure based on tutorial I need to converge the {ngrid-k, ngrid-q, nempty and gqmax} inside xs part

nempty inside “screening”

and “nstlbse” inside “BSE”

my first question is that how you select “1 5 1 4” for the lowest and highest occupied (1 5) and unoccupied state (1 4)? I did the calculation for LiF and check the “EIGVAL.OUT” and I want to know how we can understand the data for nstlbse based on this output file?because I just could understand that lowest and highest occupied state would be 1 and 5 and the lowest and highest unoccupied state if we start from the first zero one our computing would be 1 to 6, but you considered it 1 to 4, So for the unoccupied I DON’T know how should I get it from this file: I put it here, it’s sth like this that continues to 29 period :

1 0.000000000 0.000000000 0.000000000 : k-point, vkl

(state, eigenvalue and occupancy below)

1 -1.516682640 2.000000000

2 -0.7693650701 2.000000000

3 -0.3925866282E-01 2.000000000

4 -0.3925858805E-01 2.000000000

5 -0.3925858805E-01 2.000000000

6 0.2890661652 0.000000000

7 0.8403102165 0.000000000

8 0.8403157950 0.000000000

9 0.8403157950 0.000000000

10 0.8485991100 0.000000000

11 0.8485999269 0.000000000

and I pretty know how converge the ngrid-k and ngrid-q and … for “xs” and “screening”. but if we know the occupied and unoccupied state from the EIGVAL.OUT, why we need to converge? and how?