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Yambo excited-state computational software

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Table of Contents

Project Introduction

Yambo is a materials property prediction software based on many-body perturbation theory and time-dependent density functional theory (TDDFT), which employs first-principles methods rooted in Green's function formalism to characterize the excited-state properties of real materials.

Core Features:

Yambo implements first-principles methods based on the Green's function formalism to describe the excited-state properties of real materials. These methods include the GW approximation, the Bethe-Salpeter equation (BSE), electron-phonon interactions, and nonequilibrium Green's function theory (NEGF).

The open-source image product Yambo excited-state computational software provided by this project has Yambo version 5.3.0 and its related runtime environment pre-installed, and deployment templates are also provided. Refer to the usage guide and easily start an "out-of-the-box" efficient experience!

System requirements are as follows:

  • CPU: 2vCPUs or higher
  • RAM: 4GB or larger
  • Disk: At least 40GB

Prerequisites

Register a Huawei account and activate Huawei Cloud

Image Description

Image Specification Feature Description Remarks
Yambo-5.3.0-kunpeng Installed and deployed based on Kunpeng servers + Huawei Cloud EulerOS 2.0 64-bit
Yambo-5.3.0-QE-7.5-kunpeng Installed and deployed based on Kunpeng servers + Huawei Cloud EulerOS 2.0 64-bit Installed Quantum ESPRESSO for DFT calculation

Get Help

  • For more questions, you can contact us via issues or the service support of the specified product in the Huawei Cloud Marketplace.
  • For other open-source images, refer to open-source-image-repos.

How to Contribute

  • Fork this repository and submit a merge request.
  • Synchronously update README.md based on your open-source image information.

About

Ready-to-use images for Yambo on Huawei Cloud with built-in service connectors.

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