./Job.warnings output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status: finishedWARNING: The convergence criterion for the geometry optimization is not met after 100 steps! Whether the geometry is sufficiently converged can be assessed from the forces/stresses below and from transitionstate1 VASP.out or transitionstate1 OSZICAR.out. WARNING: The convergence criterion for the geometry optimization is not met after 100 steps! Whether the geometry is sufficiently converged can be assessed from the forces/stresses below and from transitionstate2 VASP.out or transitionstate2 OSZICAR.out. WARNING: Highest bands are occupied! The number of bands (47) might be too small!