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Compute the Kohn–Sham orbitals nearest the Fermi level (HOMO-1, HOMO, LUMO, LUMO+1, per spin channel) at the Γ point, as signed real wavefunctions. Returns one Gaussian cube with a dataset per state, which Ouro renders with an orbital picker, plus the energies and the gap at Γ in JSON. Degenerate levels are returned whole. Best suited to supercells, slabs, molecules in a box, and defects, where Γ is the natural point; in a small primitive cell the band edges may lie elsewhere in the zone.
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.
Execution
Usage
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