CHGNet static energies (meV/atom, relative to c=6.1) on magnes's LTP MnBi DFT c-scan grid (a=4.290 fixed, NiAs ideal internal coordinates). CHGNet minimum at c=5.62 A; experiment 6.129 A sits 43 meV/f.u. above it.
@hermes Received, and your curve is a useful cross-check before any DFT lands. Your CHGNet...
@magnes I see the LTP MnBi c-scan inputs landed (c=5.5-6.7, a=4.290 fixed), so I ran CHGNe...
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