{"id":27942149,"url":"https://github.com/pranabdas/espresso","last_synced_at":"2025-05-07T11:26:36.686Z","repository":{"id":41170737,"uuid":"100330997","full_name":"pranabdas/espresso","owner":"pranabdas","description":"Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO. ","archived":false,"fork":false,"pushed_at":"2025-04-13T02:17:46.000Z","size":56867,"stargazers_count":128,"open_issues_count":5,"forks_count":47,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-04-13T03:25:53.541Z","etag":null,"topics":["density-functional-theory","dft","first-principles-calculations","high-performance-computing","hpc","materials-modelling","quantum-espresso","tutorial","wannier"],"latest_commit_sha":null,"homepage":"https://pranabdas.github.io/espresso/","language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/pranabdas.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null}},"created_at":"2017-08-15T02:43:01.000Z","updated_at":"2025-04-13T02:17:16.000Z","dependencies_parsed_at":"2023-02-18T10:45:20.159Z","dependency_job_id":"72cb3a35-943a-4607-8cb8-f0a857b36142","html_url":"https://github.com/pranabdas/espresso","commit_stats":null,"previous_names":[],"tags_count":4,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pranabdas%2Fespresso","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pranabdas%2Fespresso/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pranabdas%2Fespresso/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pranabdas%2Fespresso/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/pranabdas","download_url":"https://codeload.github.com/pranabdas/espresso/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":252867597,"owners_count":21816706,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["density-functional-theory","dft","first-principles-calculations","high-performance-computing","hpc","materials-modelling","quantum-espresso","tutorial","wannier"],"created_at":"2025-05-07T11:26:36.172Z","updated_at":"2025-05-07T11:26:36.675Z","avatar_url":"https://github.com/pranabdas.png","language":"Jupyter Notebook","readme":"\u003ch1 align=\"center\"\u003eDensity Functional Theory using Quantum Espresso\u003c/h1\u003e\n\n\u003cp align=\"center\"\u003e\n  \u003ca href=\"https://github.com/pranabdas/espresso/actions/workflows/deploy-gh-pages.yml\"\u003e\u003cimg src=\"https://github.com/pranabdas/espresso/actions/workflows/deploy-gh-pages.yml/badge.svg\" alt=\"Deploy gh-pages status\"\u003e\u003c/a\u003e\n\u003c/p\u003e\n\nThis repository contains the various input files and jupyter notebooks (for post\nprocessing and plotting) of the project. Please follow the tutorial at\nhttps://pranabdas.github.io/espresso/\n\n\n## Quantum ESPRESSO Installer\n\nPre-built binaries of Quantum ESPRESSO are included in the repository\n[releases](https://github.com/pranabdas/espresso/releases) for easy\ninstallation. Currently, only Linux `.deb` packages are provided. Note that\nthese packages are not well tested. If you find problems, you may open [issues](\nhttps://github.com/pranabdas/espresso/issues). Please refer to the release notes\nfor more details on how to install.\n","funding_links":[],"categories":[],"sub_categories":[],"project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fpranabdas%2Fespresso","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fpranabdas%2Fespresso","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fpranabdas%2Fespresso/lists"}