GPAW26.7.0 legacyLCAO PBE, six actual water-dimer/private-basis SCFs plus read-only native local orbitals. bash setup.sh;sbatch job.slurm;bash verify.sh;bash plot.sh. Only CPU Slurm normally.
Private basis generation uses installed PAW files but writes only results/private-basis/H.ys396.dzp.basis and O...; never shared setups. No PAW/XML/GPW/binaries bundled.
Ghost AE grid export unsupported in this installed version; actual pseudo fields, occupancy/PAW metric and native charge closure retained, AE grids only real-only cases. LocalOrbitals ortho=True native interface has U_Mw initialization limitation; explicit symmetric Lowdin helper separately labelled. No SCF failure hidden or threshold relaxed. Fixed S22waterdimer geometry and coarse basis/grid are operation references,not converged binding predictions.
