FourPhonon CPU automatic-isotope teachingcontrols.
Reuseown realDFTSi16IFCs fromqualifiedpublishedwave288H040chain;no newDFT,noPOTCARorwavefunctions.
Fixed1.3-fix20260924commit5b814b337e03,oneAPI2024.2/IntelMPI2021.13/MKLsequential. Existingsoftware unchanged.
4actualq3^3T300K3+4phononRTAcontrols:auto database,explicitmatchingmass/g,twiceg,auto databasewithisotopescatteringoff.
Nativeautoisotopes overridesbothmassandg frombuiltintable,evenifisotopesfalse;CONTROLfile itselfremainsunchanged. AverageSi mass28.0855099896u,g=.00020091202549504095.
Allfrequencies/rates/channels andfull3x3RTAindependentSI reconstructionchecked;doublingg doublesisotoperates;newg2isartificialcontrolledvariance,notaspecificenrichmentcomposition.
OldGPUmodeequivalencefailuresandoriginalgates remainunchanged;thisisCPUonlyanddoesnotclosewholeFourPhonon04. q3forcomparisons,notmaterialconvergence.
AnalysisusesexistingASE3.29.0PythonwithNumPySciPy;nativecompiler/MPIunchanged.
View:bash show-reference.sh;plot:bash plot-results.sh;recomputeinsideallocatedCPUresources:sbatch job.slurm or bash run.sh.Existingwork refusesoverwrite.
