method-dfpt

When calculating superconducting Tc, strict convergence of both the q-grid and dense k-grid is required to qualify the results. This workflow enforces these convergence checks to prevent common errors in alpha2F and lambda parameter validation.

To execute the native DFPT route, you initialize a workflow for your current structure and run the pw.x, ph.x, q2r.x, matdyn.x, and alpha2f.x sequence. This requires integration with the using-quantum-espresso skill for specific input templates and execution mechanics.

The native DFPT route manages standard Quantum Espresso PHonon workflows but does not cover EPW-specific workflows. It handles alpha2F, lambda, and Tc calculations while enforcing convergence, preventing common method selection errors.

Electron-phonon coupling calculations fail convergence checks when the q-grid and dense k-grid are improperly configured. This workflow enforces strict convergence protocols to ensure Tc calculations are fully qualified before proceeding.