VASP6.6.1VTSTSSNEBSi2canonicalROWLOWERtriangularcellscompatiblewithrotation-removalprojector. SO3rigidrotationall3cells/positions,physicalmetrics/fractionalcoords/volumesunchanged. Actualnew60steps27.53s26checks,initialperpREAL.000043vsoldnontriangular.7744;finalnativeorthogonalcomponentsfullnorm2.502e-5 andmaxprintedcomp1e-5BOTH<.02last10too. Sharedcodeunchanged;old929/935nontriangulardataheldascontrolsnotnewvalidworkflows. SCF1e-6all60,finiteSi4coord/lowergauge/XML-OUTCAR/Jacobian/perp+springandrigid-rotationendpointscalarreuseproven. EDIFFG-1e-12onlydriveravoidatomic-onlyprematurestop,notphysicalforce1e-12claim;NSW60boundednotnativecellconvergenceflag. Usecomputedcells/energiesnotnextproposedCONTCAR. EndpointsourcefoldersOLDrotation-energyprovenance;publicrun.pyactuallycomputesmatchingcanonicalendpointsthenNEB. Notphasechange/barrier/performancestudy. Existingbash read.sh;bash plot.sh.Newpython3 prepare.py;copylicensedSiPOTCARtowork-new/POTCAR;cdwork-new;sbatch../submit.sh;read.shwork-new. NoVASPsource/binary/POTCAR/WAVECAR.No physicsrepeatforpackaging.
