QE7.6 native Si2 finite-q EELS teaching packet
Qualified tutorial scope:two positiveCartesianmomentumtransfers q=(0.3,0,0),(0.6,0,0)in2pi/a.
NativeSCF LDA-PZ normconserving24/96Ry,3x3x3shifted kmesh,a=10.26Bohr,fccSi2.
Each q:200->600nativeLanczossteps;finite200/600 and600->10000osc postprocessing;eta0.4and0.8eV(in Ry input).
19successful native source branches originally explored;only13branches belong to this qualified publicscope.
Negativeqinput rejection and unqualified direction-equivalence controls are private investigative evidence,not claimedpassed.
No fullq0optical limit,highprecisionangularanisotropy,cutoff/kpoint/fullchainconvergence orentireQE06claim.
Run in allocatedCPU resources:sbatch job.slurm;56coreexclusive template,8actualMPI ranks.
Actual normaluser teaching replays use the separatelyauthorizedlogin01CPUexception,not claimedSlurmexecutions.
View existing real reference results:bash show-reference.sh
Recalculate freshwork:bash run.sh;re-analyze ownnativeoutputs:bash analyze-results.sh
Sisl0.16.4 supplies scientificPython for plotting;publicQE binaries/modules are unchanged.
OriginalUPF provenance and QElicense included.No programs,privateenvironments or thirdpartycustomerdata.
