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Silicon SCF — first workflow

This tutorial will become the canonical end-to-end acceptance workflow for Quantum Studio.

Objective​

Construct or import silicon, prepare a Quantum ESPRESSO self-consistent field calculation, execute it, and inspect the parsed total energy in Analyze.

Workflow​

Scientific result​

For the current real regression calculation, the verified Quantum ESPRESSO output produced a final total energy of:

Etot=−91.29944485  Ry.E_{\mathrm{tot}} = -91.29944485\;\mathrm{Ry}.

This value is useful as an end-to-end acceptance fixture only for the specific recorded calculation; it is not a universal silicon reference energy.