./iterations/neb0_image08_iter15_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.163204643800E+04 0.16320E+04 -0.42280E+04 306 0.696E+02
DAV: 2 0.306494448945E+03 -0.13256E+04 -0.12459E+04 420 0.167E+02
DAV: 3 -0.354191761097E+03 -0.66069E+03 -0.65615E+03 356 0.123E+02
DAV: 4 -0.432748658498E+03 -0.78557E+02 -0.78259E+02 308 0.546E+01
DAV: 5 -0.434541207364E+03 -0.17925E+01 -0.17892E+01 332 0.844E+00 0.427E+01
DAV: 6 -0.388559471336E+03 0.45982E+02 -0.14798E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385034419899E+03 0.35251E+01 -0.12681E+01 340 0.789E+00 0.104E+01
DAV: 8 -0.383622211183E+03 0.14122E+01 -0.30151E+00 332 0.400E+00 0.428E+00
DAV: 9 -0.383046909238E+03 0.57530E+00 -0.67859E-01 332 0.210E+00 0.976E-01
DAV: 10 -0.382987998506E+03 0.58911E-01 -0.14375E-01 340 0.995E-01 0.728E-01
DAV: 11 -0.382966539749E+03 0.21459E-01 -0.50140E-02 332 0.472E-01 0.534E-01
DAV: 12 -0.382939909817E+03 0.26630E-01 -0.35470E-02 316 0.507E-01 0.335E-01
DAV: 13 -0.382930716748E+03 0.91931E-02 -0.20464E-02 316 0.416E-01 0.200E-01
DAV: 14 -0.382932312511E+03 -0.15958E-02 -0.11614E-02 308 0.401E-01 0.150E-01
DAV: 15 -0.382942303537E+03 -0.99910E-02 -0.64561E-03 324 0.283E-01 0.106E-01
DAV: 16 -0.382955240571E+03 -0.12937E-01 -0.31707E-03 292 0.225E-01 0.568E-02
DAV: 17 -0.382964408055E+03 -0.91675E-02 -0.22391E-03 332 0.149E-01 0.569E-02
DAV: 18 -0.382969659303E+03 -0.52512E-02 -0.78818E-04 332 0.826E-02 0.393E-02
DAV: 19 -0.382976470281E+03 -0.68110E-02 -0.38682E-04 292 0.472E-02 0.221E-02
DAV: 20 -0.382980416463E+03 -0.39462E-02 -0.19152E-04 308 0.324E-02 0.181E-02
DAV: 21 -0.382983185205E+03 -0.27687E-02 -0.20080E-04 324 0.351E-02 0.109E-02
DAV: 22 -0.382984233982E+03 -0.10488E-02 -0.39208E-05 300 0.160E-02 0.738E-03
DAV: 23 -0.382985165560E+03 -0.93158E-03 -0.50260E-05 292 0.162E-02 0.521E-03
DAV: 24 -0.382985519055E+03 -0.35349E-03 -0.11996E-05 236 0.784E-03 0.373E-03
DAV: 25 -0.382985719330E+03 -0.20028E-03 -0.88123E-06 228 0.608E-03 0.207E-03
DAV: 26 -0.382985831381E+03 -0.11205E-03 -0.32221E-06 228 0.422E-03 0.131E-03
DAV: 27 -0.382985911251E+03 -0.79870E-04 -0.32925E-06 212 0.404E-03 0.140E-03
DAV: 28 -0.382985935591E+03 -0.24339E-04 -0.11851E-06 228 0.251E-03 0.108E-03
DAV: 29 -0.382985948773E+03 -0.13183E-04 -0.84544E-07 212 0.237E-03 0.508E-04
DAV: 30 -0.382985953430E+03 -0.46564E-05 -0.30185E-07 228 0.125E-03
1 F= -.38298595E+03 E0= -.38299447E+03 d E =0.255486E-01