{"id":18736903,"url":"https://github.com/suecreamm/materials","last_synced_at":"2025-11-17T05:30:17.896Z","repository":{"id":63855400,"uuid":"569196389","full_name":"suecreamm/materials","owner":"suecreamm","description":"While studying materials science, I'm sharing helpful scripts and VASP input files.","archived":false,"fork":false,"pushed_at":"2024-08-30T02:05:36.000Z","size":1677,"stargazers_count":0,"open_issues_count":0,"forks_count":1,"subscribers_count":1,"default_branch":"main","last_synced_at":"2024-12-28T17:14:11.948Z","etag":null,"topics":["materials-science","physics","shell-script","vasp"],"latest_commit_sha":null,"homepage":"","language":"Shell","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/suecreamm.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":".github/FUNDING.yml","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},"funding":{"github":null,"patreon":null,"open_collective":null,"ko_fi":"suecream","tidelift":null,"community_bridge":null,"liberapay":null,"issuehunt":null,"otechie":null,"lfx_crowdfunding":null,"custom":"buymeacoffee.com/suecream"}},"created_at":"2022-11-22T09:44:56.000Z","updated_at":"2024-08-30T02:05:39.000Z","dependencies_parsed_at":"2024-04-24T07:58:28.741Z","dependency_job_id":null,"html_url":"https://github.com/suecreamm/materials","commit_stats":null,"previous_names":["suecreamm/materials"],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/suecreamm%2Fmaterials","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/suecreamm%2Fmaterials/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/suecreamm%2Fmaterials/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/suecreamm%2Fmaterials/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/suecreamm","download_url":"https://codeload.github.com/suecreamm/materials/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":239611993,"owners_count":19668274,"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":["materials-science","physics","shell-script","vasp"],"created_at":"2024-11-07T15:22:54.576Z","updated_at":"2025-11-17T05:30:17.818Z","avatar_url":"https://github.com/suecreamm.png","language":"Shell","funding_links":["https://ko-fi.com/suecream","buymeacoffee.com/suecream"],"categories":[],"sub_categories":[],"readme":"# Materials\n\n## 1 Graphene\n\n- VASP Input Files: POSCAR, INCAR, KPOINTS\n\n### You can get graphene's ...\n- Density of States\n- Electronic Bandstructures (G-M-K-G)\n\n## 2 Carbon Nanotubes\n\n### Atomic Structures of CNT(VASP POSCAR \u0026 CIF)\n#### Web CNT Generator\n![Carbon Nanotubes Generator Demonstration](https://github.com/suecreamm/cnt_generator/raw/main/readmeImg.png)\n\u003cbr\u003e\u003cbr\u003e\u003ca href=\"https://suecreamm.github.io/cnt_generator/\" target=\"_blank\" rel=\"noopener noreferrer\"\u003e🔮 Go to the Website\u003c/a\u003e\u003cbr\u003e\nWith just a few clicks, you can generate the atomic structures of carbon nanotubes. No installation required!  \n\n***\n\n## Scripts\n\n### B001_phononJobAuto.sh\nPhonopy allows you to get the phonon dispersion.\u003cbr\u003e\u003cbr\u003e\n``` $phonopy -d --dim 2 2 2 ```\n\u003cbr\u003eThis gets us a set of supercells.\u003cbr\u003e\n\n``` $bash B001_phononJobAuto.sh ``` \u003cbr\u003e\nRun this script to automatically assign cluster jobs for phonon calculations. My script may be more efficient when Phonopy provides more than 10 structures.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fsuecreamm%2Fmaterials","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fsuecreamm%2Fmaterials","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fsuecreamm%2Fmaterials/lists"}