VASP6.6.1VTSTNEB4newforcealgorithmconditionssamebent13Alsurfaceimage;ordinaryCPU2MPIeach39checks. LTANGENTOLD changesprojection;LDNEB smooth extra.0263995vsLDNEBORG original4.0113549eV/A. SameDFTenergy-42.26525156eV,unoptimizedpathNSW1/POTIM0/IOPT0;noenergybarrier/rate/performanceconvergenceclaim. Independenttangent+spring/perp/doubleprojection3e-5,maskedfixed8reactionforcesnotmistakenforfreeforces. PrivateoriginalstaticPOSCARunusedNaNvelocitiespreserved;publiconlyremovesunusedvelocityrecords,allpositions/cell/constraints1e-12same,notnewphysics. Existing:bash read.sh;bash plot.sh. New:python3 prepare.py;copylicensedAlPOTCARtowork-new/POTCAR;cdwork-new;sbatch../submit.sh (2MPIsequential4cases);read.shwork-new. SameinputflagdiagnosticnotoptimizedNEB. NoPOTCAR/WAVECAR/binary/credentials.No sciencepackagingrepeat.
