GPAW 26.7.0 CO mixed-spin MOM, two native algorithms and real finite-displacement forces.
This is a mixed-spin determinant with Nup=Ndown=5, not a spin-purified singlet.
The exact PAW AO overlap metric checks electron number and spin projection. Grid-estimated moment is retained as an approximate integral, not asserted zero to machine precision.
Raw coefficients are gauge-sensitive; full density fields and independently reconstructed C*SC^T are checked.
CPU MPI=1 OMP=1. bash setup.sh; sbatch job.slurm; bash verify.sh; bash plot.sh.
No PAW datasets, GPW checkpoints or installed binaries are shipped.
