VTST matrix tools: extract, reorder, polynomial derivative, step-analysis and 12 mode animations.
Actual NH3 matrix is reused from the native ICHAIN=1 calculation. Four step matrices are explicitly analytical H(d)=H0+d^2*C, not new DFT calculations or evidence of step convergence.
module load ase/3.29.0 vtstscripts/1040
bash read.sh
bash plot.sh
Optional fresh tool execution: bash run.sh; bash read.sh work-new analysis-new; bash plot.sh analysis-new. No new VASP needed.
A personal numerically scaled cubic fit helper is generated from your installed script; shared installation is unchanged.
The original raw NH3 modes include rigid-body artifacts. Mode animations are visualization, not an additional saddle-point or vibrational convergence claim.
