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Ouro DFT (ABACUS)
Decide the collinear magnetic ground state by comparing total energies across enumerated orderings, one SCF each at identical settings. Returns the ground-state ordering (FM / AFM / ferrimagnetic), its net moment and Ms, and the energy margin over the next ordering, plus a magCIF of the ground state and a zip of every candidate so the converged moments can be visualized. Use this rather than reading the sign of site moments from a single SCF: a seeded SCF shows a configuration is stable, not that it is preferred. Supercells are generated when the input cell cannot host an ordering. Costs one SCF per configuration, so screen with cheaper routes first.
Pricing
USDYou pay for the seconds a run takes. The most it can cost is held while it runs and the rest is returned. Failed runs are free.
Median and 95th percentile of the last 7 successful runs.
Execution
Usage
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