I want to study optical spectrum with GW-BSE correction in pure GaN and AlGaN with ratio Al to Ga 1:7, 1:3 and 1:1. I don't have any problem with pure GaN and 1:1 AlGaN (maybe there is some physical problem which I can consult with my professor), however, I got some problem when I calculate the 1:7 AlGaN.
I use Yambo 4.1.1 with yambo-py help to generate input (because manual converge test is such a pain), I wonder if the problem is insufficient memory?[ERROR] STOP signal received while in : Dynamic Dielectric Matrix (PPA)
[ERROR][NetCDF] NetCDF: NC_UNLIMITED in the wrong index
Since my zipped QE input files (scf and nscf) and GW-converge input files exceed allowed size, please download the tar file here:
https://drive.google.com/open?id=0B_FpA ... mxsaHl4Wmc
Another question for 1:1 AlGaN, will it be a problem if I use same input with GaN? I suppose since the QE input almost same, the yambo-py will generate same yambo input (the number of k points and number atom exactly same, since Ga and Al have same electron valence hence they have a same number of bands too), but I keep wondering if its alright or not.