GPAW26.7.0 legacy FD/PW fullyvariational He PZ-SIC, LDA, scaling factors1/1, complex orbitals.
FD open boundary, PW neutral periodic vacuum approximation; cell8A.
nbands2 satisfies native fixed-uniform initialization. Only occupied orbitals enter SIC; empty bands not used for excitation/gap claims.
CPU MPI=1OMP=1. bash setup.sh;sbatch job.slurm;bash verify.sh;bash plot.sh.
Reference has own numerical arrays only; no PAW datasets,GPW checkpoints or binaries.
