Troubleshooting¶
- Recommendations
- Troubleshooting
- SCF does not converge
- Geometry does not converge
- Lattice optimization does not converge for gga
- I see two band gaps, which one is best?
- Band structure does not match the DOS
- Missing core bands or DOS peaks in amsbands
- Negative frequencies in phonon spectra
- Too much scratch disk space is used
- Basis set dependency
- Frozen core too large
- requested kgrid appears to break the symmetry
- Various issues
- Warnings