MLIP validation-campaign census (2026-07-17 campaign, IRMA v0.20.0)
====================================================================

Provenance: extracted 2026-07-24 from the campaign bundle manifests at
inspired_irma_work/validation/{ni,graphite,beo,zro2}/bundle_*/manifest.json
(fields phonons.freq_max_meV and phonons.n_imaginary, computed by
`irma mlip build` on the shared meshes documented in docs/mlip.md).
This file backs the quantitative values quoted in docs/mlip.md's
"Validation snapshot" section.

Census (material, potential, freq_max [meV], imaginary-mode count)
------------------------------------------------------------------
ni        dpa3        31.67    0
ni        grace       34.85    0
ni        mace        34.98    0
ni        mattersim   33.71    0
ni        nequip      35.81    0
ni        orb         35.95    0
ni        pet-mad     34.50    0
ni        sevennet    35.13    0
graphite  dpa3       187.56    13848
graphite  dpa3(Omat24 head) 193.80  14812
graphite  grace      200.98    0
graphite  mace-off   193.61    972
graphite  mace       206.68    0
graphite  mace(omat-0) 192.39  0
graphite  mattersim  201.97    0
graphite  nequip     201.71    0
graphite  orb        201.04    176
graphite  pet-mad    203.61    0
graphite  sevennet   201.41    1060
beo       dpa3       122.71    0
beo       grace      136.88    0
beo       mattersim  134.61    0
beo       nequip     131.58    0
beo       orb        135.30    0
beo       pet-mad    134.33    0
beo       sevennet   128.20    0
zro2      dpa3        98.21    4
zro2      grace      104.38    8
zro2      mace       101.56    0
zro2      mattersim  105.04    48
zro2      nequip     100.48    0
zro2      orb         99.84    0
zro2      pet-mad    101.81    3556
zro2      sevennet   100.51    0

ZrO2 DFT reference, NAC sensitivity (zro2/prep_reference.txt)
-------------------------------------------------------------
without NAC: freq_max = 103.83 meV, 92 imaginary modes
with BORN NAC: freq_max = 98.58 meV, 0 imaginary modes

Graphite DFT functional spread (graphite/compare_graphite.py, the
2026-07-15 seven-functional study)
------------------------------------------------------------------
freq_max spans 198.2-202.7 meV on the 40^3 mesh across
LDA/PBE/rPBE/BLYP/AM05/optB88/vdW-D3.