iterations/neb0_image06_iter22_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.145099083848E+04 0.14510E+04 -0.44224E+04 330 0.697E+02
DAV: 2 0.227589846280E+03 -0.12234E+04 -0.11472E+04 426 0.163E+02
DAV: 3 -0.365391513634E+03 -0.59298E+03 -0.58969E+03 354 0.114E+02
DAV: 4 -0.433192449521E+03 -0.67801E+02 -0.67546E+02 318 0.490E+01
DAV: 5 -0.434675886316E+03 -0.14834E+01 -0.14810E+01 318 0.757E+00 0.426E+01
DAV: 6 -0.388858601530E+03 0.45817E+02 -0.14833E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385424242635E+03 0.34344E+01 -0.13209E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383958451370E+03 0.14658E+01 -0.20133E+00 345 0.384E+00 0.430E+00
DAV: 9 -0.383410927515E+03 0.54752E+00 -0.68538E-01 336 0.214E+00 0.119E+00
DAV: 10 -0.383350887546E+03 0.60040E-01 -0.37651E-01 345 0.102E+00 0.120E+00
DAV: 11 -0.383328885696E+03 0.22002E-01 -0.29741E-01 345 0.627E-01 0.899E-01
DAV: 12 -0.383302536715E+03 0.26349E-01 -0.57062E-02 318 0.439E-01 0.594E-01
DAV: 13 -0.383287601132E+03 0.14936E-01 -0.11795E-01 336 0.564E-01 0.701E-01
DAV: 14 -0.383277068127E+03 0.10533E-01 -0.15773E-02 318 0.361E-01 0.345E-01
DAV: 15 -0.383278965224E+03 -0.18971E-02 -0.20322E-02 318 0.373E-01 0.293E-01
DAV: 16 -0.383282213305E+03 -0.32481E-02 -0.13393E-02 354 0.242E-01 0.176E-01
DAV: 17 -0.383288789202E+03 -0.65759E-02 -0.39832E-03 300 0.139E-01 0.112E-01
DAV: 18 -0.383301179340E+03 -0.12390E-01 -0.31068E-03 309 0.164E-01 0.160E-01
DAV: 19 -0.383309797747E+03 -0.86184E-02 -0.20215E-03 309 0.146E-01 0.560E-02
DAV: 20 -0.383316452971E+03 -0.66552E-02 -0.99451E-04 318 0.868E-02 0.444E-02
DAV: 21 -0.383319729554E+03 -0.32766E-02 -0.13126E-04 336 0.271E-02 0.329E-02
DAV: 22 -0.383325648874E+03 -0.59193E-02 -0.37357E-04 291 0.394E-02 0.249E-02
DAV: 23 -0.383328695484E+03 -0.30466E-02 -0.17370E-04 327 0.245E-02 0.172E-02
DAV: 24 -0.383329691537E+03 -0.99605E-03 -0.37183E-05 291 0.159E-02 0.114E-02
DAV: 25 -0.383330697225E+03 -0.10057E-02 -0.46652E-05 264 0.141E-02 0.844E-03
DAV: 26 -0.383331131177E+03 -0.43395E-03 -0.11418E-05 228 0.926E-03 0.530E-03
DAV: 27 -0.383331347771E+03 -0.21659E-03 -0.15899E-05 228 0.990E-03 0.471E-03
DAV: 28 -0.383331480242E+03 -0.13247E-03 -0.33554E-06 219 0.636E-03 0.275E-03
DAV: 29 -0.383331556366E+03 -0.76124E-04 -0.43960E-06 210 0.481E-03 0.239E-03
DAV: 30 -0.383331581501E+03 -0.25135E-04 -0.10217E-06 228 0.318E-03 0.140E-03
DAV: 31 -0.383331610383E+03 -0.28882E-04 -0.25287E-06 201 0.452E-03 0.258E-03
DAV: 32 -0.383331624273E+03 -0.13890E-04 -0.62195E-07 219 0.236E-03 0.178E-03
DAV: 33 -0.383331633607E+03 -0.93342E-05 -0.98674E-07 219 0.274E-03
1 F= -.38333163E+03 E0= -.38334846E+03 d E =0.504669E-01