Dear Barnali,
Increasing the block size, increase the computational load, and of course if you run with a 1 cpu only it will be very long to finish the calculation.
If you have access to a cluster , I strongly suggest you to compile and run the code in parallel. Otherwise the only way I can see is to restart the
calculation many times (Be careful to use always the same input file!).
Anyway, I can see again in your input:
- Code: Select all
%QPkrange # [GW] QP generalized Kpoint/Band indices
1| 20| 20|30|
%
As I told you in the previous post, do you need to calculate 200 QP corrections? I do not think so, moreover when checking for convergences?
If you change this line in:
[code]%QPkrange # [GW] QP generalized Kpoint/Band indices
1| 20| 24|25|
%[/code
so just the last occupied and first unoccupied bands, you save a factor 5 in time.
If you consider only the k point at the direct gap:
[code]%QPkrange # [GW] QP generalized Kpoint/Band indices
20| 20| 24|25|
%[/code
Check it, I'm not sure this is the right k point. In this case you save a factor 100 in your computational time.
Best,
Daniele