iterations/neb0_image02_iter14_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161789161556E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296710186784E+03 -0.13212E+04 -0.12439E+04 420 0.168E+02
DAV: 3 -0.358022476315E+03 -0.65473E+03 -0.65103E+03 364 0.123E+02
DAV: 4 -0.433480415636E+03 -0.75458E+02 -0.75144E+02 316 0.520E+01
DAV: 5 -0.435191568124E+03 -0.17112E+01 -0.17085E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389123756665E+03 0.46068E+02 -0.15032E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385606219845E+03 0.35175E+01 -0.12468E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384161412490E+03 0.14448E+01 -0.24712E+00 332 0.382E+00 0.432E+00
DAV: 9 -0.383605414528E+03 0.55600E+00 -0.97510E-01 324 0.205E+00 0.112E+00
DAV: 10 -0.383533050159E+03 0.72364E-01 -0.17721E-01 332 0.959E-01 0.835E-01
DAV: 11 -0.383510822817E+03 0.22227E-01 -0.75648E-02 308 0.494E-01 0.685E-01
DAV: 12 -0.383499387053E+03 0.11436E-01 -0.24880E-01 324 0.549E-01 0.524E-01
DAV: 13 -0.383490449877E+03 0.89372E-02 -0.14788E-02 308 0.330E-01 0.516E-01
DAV: 14 -0.383487064750E+03 0.33851E-02 -0.57038E-02 308 0.397E-01 0.579E-01
DAV: 15 -0.383485417329E+03 0.16474E-02 -0.37507E-02 340 0.280E-01 0.177E-01
DAV: 16 -0.383491770277E+03 -0.63529E-02 -0.24075E-03 276 0.130E-01 0.179E-01
DAV: 17 -0.383500323881E+03 -0.85536E-02 -0.46556E-03 324 0.158E-01 0.143E-01
DAV: 18 -0.383514083492E+03 -0.13760E-01 -0.20757E-02 292 0.219E-01 0.390E-01
DAV: 19 -0.383513769645E+03 0.31385E-03 -0.54913E-03 324 0.111E-01 0.217E-01
DAV: 20 -0.383518190821E+03 -0.44212E-02 -0.94927E-04 276 0.733E-02 0.185E-01
DAV: 21 -0.383523900856E+03 -0.57100E-02 -0.81720E-04 364 0.692E-02 0.780E-02
DAV: 22 -0.383529903116E+03 -0.60023E-02 -0.56655E-04 308 0.531E-02 0.964E-02
DAV: 23 -0.383533913822E+03 -0.40107E-02 -0.44492E-04 324 0.531E-02 0.257E-02
DAV: 24 -0.383536179308E+03 -0.22655E-02 -0.16193E-04 300 0.296E-02 0.195E-02
DAV: 25 -0.383538283679E+03 -0.21044E-02 -0.82607E-05 292 0.176E-02 0.233E-02
DAV: 26 -0.383539766764E+03 -0.14831E-02 -0.76787E-05 300 0.162E-02 0.215E-02
DAV: 27 -0.383540747379E+03 -0.98062E-03 -0.55260E-05 276 0.145E-02 0.100E-02
DAV: 28 -0.383540997941E+03 -0.25056E-03 -0.11486E-05 228 0.802E-03 0.858E-03
DAV: 29 -0.383541246809E+03 -0.24887E-03 -0.93792E-06 220 0.561E-03 0.447E-03
DAV: 30 -0.383541370568E+03 -0.12376E-03 -0.50722E-06 228 0.454E-03 0.197E-03
DAV: 31 -0.383541430403E+03 -0.59835E-04 -0.30704E-06 220 0.425E-03 0.315E-03
DAV: 32 -0.383541469031E+03 -0.38628E-04 -0.15889E-06 212 0.238E-03 0.218E-03
DAV: 33 -0.383541486236E+03 -0.17205E-04 -0.83632E-07 220 0.207E-03 0.875E-04
DAV: 34 -0.383541497162E+03 -0.10926E-04 -0.53879E-07 220 0.149E-03 0.549E-04
DAV: 35 -0.383541499519E+03 -0.23574E-05 -0.16452E-07 228 0.962E-04
1 F= -.38354150E+03 E0= -.38355872E+03 d E =0.516575E-01