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by mxiangying
Sun Dec 15, 2013 11:45 am
Forum: VTSTTools
Topic: SS-NEB error report
Replies: 1
Views: 9782

SS-NEB error report

Hi, everybody. When I run a SS-NEB calculation, the following information is reported. CPUs are still running but no further new results are exported. N E dE d eps ncg rms rms(c) ERROR FEXCP: supplied Exchange-correletion table is too small, maximal index : 4344 DAV: 1 0.351912153098E+04 0.35191E+04...