Skip to content

GitLab

  • Menu
Projects Groups Snippets
  • Help
    • Help
    • Support
    • Community forum
    • Submit feedback
    • Contribute to GitLab
  • Sign in
  • nomad-FAIR nomad-FAIR
  • Project information
    • Project information
    • Activity
    • Labels
    • Members
  • Repository
    • Repository
    • Files
    • Commits
    • Branches
    • Tags
    • Contributors
    • Graph
    • Compare
  • Issues 138
    • Issues 138
    • List
    • Boards
    • Service Desk
    • Milestones
  • Merge requests 13
    • Merge requests 13
  • CI/CD
    • CI/CD
    • Pipelines
    • Jobs
    • Schedules
  • Deployments
    • Deployments
    • Environments
    • Releases
  • Monitor
    • Monitor
    • Incidents
  • Packages & Registries
    • Packages & Registries
    • Package Registry
    • Container Registry
    • Infrastructure Registry
  • Analytics
    • Analytics
    • Value stream
    • CI/CD
    • Repository
  • Snippets
    • Snippets
  • Activity
  • Graph
  • Create a new issue
  • Jobs
  • Commits
  • Issue Boards
Collapse sidebar
  • nomad-lab
  • nomad-FAIRnomad-FAIR
  • Issues
  • #440

Closed
Open
Created Nov 03, 2020 by Lauri Himanen@himanel1Maintainer

Empty CASTEP band structures

The search finds several CASTEP calculations with an electronic band structure. It seems, however, that most (if not all) of the section_k_bands are empty. One example can be found here: https://nomad-lab.eu/prod/rae/beta/gui/entry/id/EMtbEy_XQ9aPZjJYRMJtDA/1HSP0tidKfWRUl0Xi76kkxYqyIgr/archive/section_run/section_single_configuration_calculation:1/section_k_band

If band structures are not present, then the parser should not open this section. If a band structure can be parsed, then the section should be populated with all the necessary metainfo (segments, energies, k-points).

Assignee
Assign to
Time tracking