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Compute harmonic phonons, DOS, and band structure for a crystal structure using phonopy with NequIP-OAM-XL forces, returned as a .phonons file Ouro renders as an interactive dispersion beside the element-projected DOS. Useful for spotting imaginary modes before kappa or ZT estimation.
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 90 successful runs.
Execution
Usage
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