Skip to content
GitLab
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 214
    • Issues 214
    • List
    • Boards
    • Service Desk
    • Milestones
  • Merge requests 28
    • Merge requests 28
  • CI/CD
    • CI/CD
    • Pipelines
    • Jobs
    • Schedules
  • Deployments
    • Deployments
    • Environments
    • Releases
  • Packages and registries
    • Packages and registries
    • Package Registry
    • Container Registry
    • Infrastructure Registry
  • Monitor
    • Monitor
    • Incidents
  • Analytics
    • Analytics
    • Value stream
    • CI/CD
    • Repository
  • Snippets
    • Snippets
  • Activity
  • Graph
  • Create a new issue
  • Jobs
  • Commits
  • Issue Boards
Collapse sidebar
  • nomad-labnomad-lab
  • nomad-FAIRnomad-FAIR
  • Issues
  • #497
Closed
Open
Issue created Feb 10, 2021 by Lauri Himanen@himanel1Maintainer

Molecule structure issue with FHI-aims

FHI-aims molecule calculations parsed with 0.10.0 have issues with lattice vectors. Maybe a unit conversion issue? See e.g. https://nomad-lab.eu/prod/rae/beta/gui/entry/id/Anra7l_EQhC9f_PDkA4JdQ/H21kMMuFJt1f89hHQ160ZpBCTKct/archive/section_run/section_system/lattice_vectors

Assignee
Assign to
Time tracking