Comments (1)
Solved with commit 3b88182, the instead of the total energy per atom just the total energy was given.
from aiida-fleur.
Related Issues (20)
- Exit code 11 within EOS WC when CreateMagnetic film is run using Au as substrate using distancesuggestion from MP HOT 2
- More userfriendly Workchain outputs HOT 1
- Improve regression test maintainability
- Should the `examples` folder be removed? HOT 2
- Release planning
- Provide declarative way of building `inpxml_changes` input HOT 2
- `plot_fleur` can easily produce unexpected plots for imported nodes HOT 1
- Error in Spin Spiral calculation HOT 1
- Relax workchain crashes when `calc_parameters` not given
- Revisit magnetic structure inputs
- Support for charge density manipulations
- Convergence Strategies SCF Workchain HOT 2
- SCF Workchain: New AiiDA feature - Finish convergence via monitors
- DOS not plottable after calculation using plot_fleur()
- WC doesn't get resubmitted for atoms spilling in vacuum HOT 1
- WC doesn't get resubmitted after atoms crash into each other
- pypi release for aiida-core v2 HOT 3
- Better CLI error messages for beginners HOT 1
- add slurm option in workflow for inpgen HOT 2
- ldaU functionality in BandDos-Workflow HOT 1
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