GPAW26.7.0 OFDFT:private native setup generation then actual C atom(lambda2,legacyCG) andperiodicC8(lambda1,newFDppcg).
Kinetic model Thomas-Fermi plus lambda vonWeizsaecker;LDA exchange,no correlation. All6 C electrons included.
A single collective density orbital can have occupation6 or48;these are not ordinary KS orbitals or a band gap.
Each fresh run generates its own private XML setups and uses their names in calculator parameters,so GPW checkpoints serialize. No shared PAW dataset is changed;generated datasets/GPWs are not redistributed.
CPU MPI1OMP1. bash setup.sh;sbatch job.slurm;bash verify.sh;bash plot.sh.
Do not compare differentlambda energies as a cohesiveenergy or claim a realistic carbonbenchmark from these small native examples.
