GPAW26.7.0 legacy FD Yukawa RSF H2 fixed geometry. LCY-PBE gamma.75/.50 and CAMY-B3LYP gamma.34, inverse Bohr. Six neutral/cation RSF SCFs, with two PBE warm-start SCFs for occupied-only CAMY. LCY uses two bands and charge-centered Poisson; CAMY uses one required occupied band, fixed-center Poisson, Mixer.05. No unoccupied-state/gap/force claim or gamma optimization.
Full two-physical-spin density fields and independent total retained, including paired computational nspins1. Source and replay original physical thresholds preserved.
CPU MPI1 OMP1. bash setup.sh;sbatch job.slurm;bash verify.sh;bash plot.sh. No PAW XML, GPW checkpoints or binaries bundled.
