VTST native ICHAIN1 dynamical matrix: NH3 optimized minimum and saddle, 13 real force calls each on P100/V10016. Not builtin IBRION5. Read reference outputs: bash read.sh; bash plot.sh. Recompute: bash submit.sh (licensed cluster POTCAR required, not distributed). Complete INCAR/POSCAR/KPOINTS/DISPLACECAR supplied. Native dymmatrix.pl raw12modes retained, explicit massweighted translation/rotation projection gives6internalmodes; do not select modes by arbitrary cutoff. Same-geometry older central-finite-difference results included for numerical comparison. No gasphasecompletekinetics or convergedmaterialclaim. Compiler NVHPC25.3/OpenMPI/MKL2023.2 perinstalled661VTSTmodule.
