# Rigid muffin-tin approximation in plane-wave codes for fast modeling of phonon-mediated superconductors

## TL;DR

This paper introduces a pseudopotential-based plane-wave implementation of the rigid muffin-tin approximation, enabling efficient evaluation of electron-phonon interactions for superconductors, suitable for high-throughput materials screening.

## Contribution

It develops a computationally efficient pseudopotential-based RMTA method compatible with plane-wave codes, validated against full-potential calculations, facilitating rapid superconductor screening.

## Key findings

- Excellent agreement with full-potential calculations
- Enables extraction of atom- and symmetry-resolved electron-phonon parameters
- Reduces computational cost for high-throughput superconductor discovery

## Abstract

We present a pseudopotential-based plane-wave implementation of the rigid muffin-tin approximation (RMTA), offering a computationally efficient alternative to its traditional use in all-electron codes. This approach enables the evaluation of angular-momentum-resolved electron-phonon matrix elements and McMillan-Hopfield parameters of not only elemental transition metals but also their compounds. The results are benchmarked against full-potential linearized augmented plane wave calculations, showing excellent agreement. We further outline a practical route to extract atom- and symmetry-type-resolved electron-phonon coupling constants. By enabling the use of RMTA descriptors within high-throughput workflows, this framework significantly lowers the computational cost of screening candidate superconductors, providing a valuable tool for materials discovery.