IsoME Publication

IsoME - Streamlining High-Precision Eliashberg Calculations

• Christoph Heil

Image by Eva Kogler

We’re happy to announce that our IsoME paper has been published in Computer Physics Communications (Vol 315, 109720, 2025). The article is open-access and documents the full capabilities, performance, and use cases of IsoME for high-precision superconductivity calculations.

What is IsoME?

IsoME is a Julia-based tool designed to streamline superconductivity calculations across a wide range of approximation levels:

  • Semi-Empirical Methods: Quickly estimate critical temperatures (Tc) using the McMillan–Allen-Dynes formula and its machine learning extension.
  • Ab Initio Approaches: Perform fully self-consistent isotropic Migdal-Eliashberg calculations, either with constant DOS (cDOS) or variable DOS (vDOS), including optional static Coulomb corrections.
  • Automatic Tc Search Mode: Automatically finds Tc without manual temperature input—ideal for high-throughput workflows.

Why Use IsoME?

IsoME brings together flexibility and ease of use:

  • Unified Framework: Cover a full range of superconducting models in one package.
  • Interoperability: Compatible with standard DFT/DFPT and GW outputs (e.g., from Quantum Espresso, EPW, BerkeleyGW).
  • Efficient Workflows: Run ab initio Eliashberg calculations on a workstation in minutes.

Quick Start Example

IsoME is easy to install and run:

using IsoME

inp = arguments(
  a2f_file = "path-to-your-α2F-data",
  outdir  = "path-to-output-directory"
)

EliashbergSolver(inp)

Learn More

The published article includes benchmarks, methodology details, and usage examples:
https://doi.org/10.1016/j.cpc.2025.109720

Get the Code

Christoph Heil