iterations/neb0_image07_iter23_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 0.150666123194E+04 0.15067E+04 -0.43559E+04 322 0.697E+02
DAV: 2 0.248383026541E+03 -0.12583E+04 -0.11841E+04 428 0.164E+02
DAV: 3 -0.359332513054E+03 -0.60772E+03 -0.60362E+03 356 0.117E+02
DAV: 4 -0.433075069907E+03 -0.73743E+02 -0.73431E+02 316 0.513E+01
DAV: 5 -0.434769890635E+03 -0.16948E+01 -0.16919E+01 340 0.787E+00 0.427E+01
DAV: 6 -0.388819596531E+03 0.45950E+02 -0.14994E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385313853381E+03 0.35057E+01 -0.12472E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.383900252878E+03 0.14136E+01 -0.26956E+00 332 0.391E+00 0.430E+00
DAV: 9 -0.383333443569E+03 0.56681E+00 -0.60895E-01 332 0.195E+00 0.972E-01
DAV: 10 -0.383274566009E+03 0.58878E-01 -0.15989E-01 340 0.970E-01 0.737E-01
DAV: 11 -0.383260954101E+03 0.13612E-01 -0.48561E-02 324 0.429E-01 0.619E-01
DAV: 12 -0.383250325888E+03 0.10628E-01 -0.13035E-01 332 0.444E-01 0.682E-01
DAV: 13 -0.383238825499E+03 0.11500E-01 -0.60501E-02 308 0.349E-01 0.503E-01
DAV: 14 -0.383236723900E+03 0.21016E-02 -0.35833E-02 348 0.266E-01 0.204E-01
DAV: 15 -0.383239737168E+03 -0.30133E-02 -0.97040E-03 300 0.245E-01 0.186E-01
DAV: 16 -0.383249640371E+03 -0.99032E-02 -0.69049E-03 300 0.190E-01 0.122E-01
DAV: 17 -0.383262504202E+03 -0.12864E-01 -0.31218E-03 292 0.177E-01 0.740E-02
DAV: 18 -0.383272553155E+03 -0.10049E-01 -0.25530E-03 308 0.132E-01 0.668E-02
DAV: 19 -0.383278316440E+03 -0.57633E-02 -0.40707E-04 340 0.513E-02 0.561E-02
DAV: 20 -0.383285758510E+03 -0.74421E-02 -0.62063E-04 300 0.501E-02 0.235E-02
DAV: 21 -0.383289678975E+03 -0.39205E-02 -0.20142E-04 324 0.303E-02 0.247E-02
DAV: 22 -0.383291584440E+03 -0.19055E-02 -0.11151E-04 308 0.267E-02 0.139E-02
DAV: 23 -0.383293438127E+03 -0.18537E-02 -0.75321E-05 300 0.173E-02 0.968E-03
DAV: 24 -0.383294632612E+03 -0.11945E-02 -0.66101E-05 292 0.149E-02 0.549E-03
DAV: 25 -0.383295042129E+03 -0.40952E-03 -0.17591E-05 244 0.892E-03 0.346E-03
DAV: 26 -0.383295249855E+03 -0.20773E-03 -0.88991E-06 220 0.611E-03 0.344E-03
DAV: 27 -0.383295337585E+03 -0.87730E-04 -0.32532E-06 228 0.390E-03 0.221E-03
DAV: 28 -0.383295403619E+03 -0.66034E-04 -0.32063E-06 212 0.403E-03 0.144E-03
DAV: 29 -0.383295434135E+03 -0.30515E-04 -0.17159E-06 220 0.266E-03 0.125E-03
DAV: 30 -0.383295445277E+03 -0.11142E-04 -0.70412E-07 228 0.197E-03 0.760E-04
DAV: 31 -0.383295452305E+03 -0.70283E-05 -0.38031E-07 220 0.134E-03
1 F= -.38329545E+03 E0= -.38330861E+03 d E =0.394641E-01