iterations/neb0_image02_iter65_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 0.144769654233E+04 0.14477E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.223916680755E+03 -0.12238E+04 -0.11468E+04 435 0.163E+02
DAV: 3 -0.363086555578E+03 -0.58700E+03 -0.58385E+03 345 0.114E+02
DAV: 4 -0.433467777891E+03 -0.70381E+02 -0.70137E+02 318 0.508E+01
DAV: 5 -0.435040927034E+03 -0.15731E+01 -0.15707E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389073443163E+03 0.45967E+02 -0.14815E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385602530251E+03 0.34709E+01 -0.13601E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384119145804E+03 0.14834E+01 -0.20706E+00 336 0.384E+00 0.430E+00
DAV: 9 -0.383578782717E+03 0.54036E+00 -0.15254E+00 327 0.239E+00 0.136E+00
DAV: 10 -0.383519220576E+03 0.59562E-01 -0.38985E-01 327 0.114E+00 0.106E+00
DAV: 11 -0.383486132029E+03 0.33089E-01 -0.18891E-01 345 0.649E-01 0.915E-01
DAV: 12 -0.383475185916E+03 0.10946E-01 -0.27626E-01 345 0.744E-01 0.824E-01
DAV: 13 -0.383453492516E+03 0.21693E-01 -0.93079E-02 363 0.518E-01 0.596E-01
DAV: 14 -0.383442395065E+03 0.11097E-01 -0.26138E-02 318 0.352E-01 0.445E-01
DAV: 15 -0.383439485867E+03 0.29092E-02 -0.26197E-02 327 0.453E-01 0.464E-01
DAV: 16 -0.383440058483E+03 -0.57262E-03 -0.24383E-02 336 0.293E-01 0.263E-01
DAV: 17 -0.383445573082E+03 -0.55146E-02 -0.34441E-03 282 0.173E-01 0.127E-01
DAV: 18 -0.383456291343E+03 -0.10718E-01 -0.26977E-03 309 0.160E-01 0.102E-01
DAV: 19 -0.383468876192E+03 -0.12585E-01 -0.20696E-03 318 0.149E-01 0.700E-02
DAV: 20 -0.383477242003E+03 -0.83658E-02 -0.10273E-03 309 0.926E-02 0.726E-02
DAV: 21 -0.383480344206E+03 -0.31022E-02 -0.17463E-04 354 0.340E-02 0.428E-02
DAV: 22 -0.383485809273E+03 -0.54651E-02 -0.42509E-04 291 0.463E-02 0.227E-02
DAV: 23 -0.383487800130E+03 -0.19909E-02 -0.10899E-04 363 0.241E-02 0.262E-02
DAV: 24 -0.383488752027E+03 -0.95190E-03 -0.51807E-05 318 0.203E-02 0.206E-02
DAV: 25 -0.383489793606E+03 -0.10416E-02 -0.38576E-05 282 0.127E-02 0.173E-02
DAV: 26 -0.383490469637E+03 -0.67603E-03 -0.34866E-05 273 0.117E-02 0.682E-03
DAV: 27 -0.383490749832E+03 -0.28020E-03 -0.89486E-06 228 0.707E-03 0.531E-03
DAV: 28 -0.383490911126E+03 -0.16129E-03 -0.57970E-06 228 0.501E-03 0.204E-03
DAV: 29 -0.383490985893E+03 -0.74767E-04 -0.23700E-06 228 0.336E-03 0.326E-03
DAV: 30 -0.383491048236E+03 -0.62343E-04 -0.24306E-06 210 0.330E-03 0.109E-03
DAV: 31 -0.383491062954E+03 -0.14718E-04 -0.93279E-07 228 0.214E-03 0.901E-04
DAV: 32 -0.383491073753E+03 -0.10800E-04 -0.62023E-07 210 0.192E-03 0.937E-04
DAV: 33 -0.383491085055E+03 -0.11302E-04 -0.42209E-07 219 0.125E-03 0.736E-04
DAV: 34 -0.383491088376E+03 -0.33209E-05 -0.16744E-07 228 0.872E-04
1 F= -.38349109E+03 E0= -.38350373E+03 d E =0.379323E-01