iterations/neb0_image04_iter5_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 0.161880897537E+04 0.16188E+04 -0.42280E+04 306 0.697E+02
DAV: 2 0.297915185634E+03 -0.13209E+04 -0.12418E+04 420 0.168E+02
DAV: 3 -0.354110354886E+03 -0.65203E+03 -0.64847E+03 356 0.123E+02
DAV: 4 -0.433238831379E+03 -0.79128E+02 -0.78788E+02 316 0.540E+01
DAV: 5 -0.435084535431E+03 -0.18457E+01 -0.18434E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389065989744E+03 0.46019E+02 -0.15047E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385567377202E+03 0.34986E+01 -0.12377E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384137571572E+03 0.14298E+01 -0.26972E+00 332 0.388E+00 0.432E+00
DAV: 9 -0.383577375640E+03 0.56020E+00 -0.80856E-01 324 0.202E+00 0.121E+00
DAV: 10 -0.383520995280E+03 0.56380E-01 -0.46575E-01 340 0.105E+00 0.794E-01
DAV: 11 -0.383493872287E+03 0.27123E-01 -0.32377E-02 324 0.487E-01 0.674E-01
DAV: 12 -0.383477103333E+03 0.16769E-01 -0.16613E-01 388 0.751E-01 0.816E-01
DAV: 13 -0.383461232700E+03 0.15871E-01 -0.42008E-02 316 0.410E-01 0.472E-01
DAV: 14 -0.383461717283E+03 -0.48458E-03 -0.13669E-02 308 0.288E-01 0.418E-01
DAV: 15 -0.383463436391E+03 -0.17191E-02 -0.11249E-02 332 0.180E-01 0.237E-01
DAV: 16 -0.383473588754E+03 -0.10152E-01 -0.65880E-03 292 0.204E-01 0.164E-01
DAV: 17 -0.383486108588E+03 -0.12520E-01 -0.42258E-03 332 0.191E-01 0.937E-02
DAV: 18 -0.383493227647E+03 -0.71191E-02 -0.31201E-03 300 0.115E-01 0.133E-01
DAV: 19 -0.383501956512E+03 -0.87289E-02 -0.15620E-03 300 0.823E-02 0.716E-02
DAV: 20 -0.383508433407E+03 -0.64769E-02 -0.70733E-04 308 0.589E-02 0.439E-02
DAV: 21 -0.383511144011E+03 -0.27106E-02 -0.14108E-04 348 0.321E-02 0.284E-02
DAV: 22 -0.383516351359E+03 -0.52073E-02 -0.32643E-04 292 0.339E-02 0.299E-02
DAV: 23 -0.383518105473E+03 -0.17541E-02 -0.88690E-05 300 0.191E-02 0.113E-02
DAV: 24 -0.383519510399E+03 -0.14049E-02 -0.70422E-05 300 0.161E-02 0.708E-03
DAV: 25 -0.383520097305E+03 -0.58691E-03 -0.23640E-05 252 0.929E-03 0.539E-03
DAV: 26 -0.383520455004E+03 -0.35770E-03 -0.15891E-05 212 0.812E-03 0.531E-03
DAV: 27 -0.383520548353E+03 -0.93349E-04 -0.55585E-06 236 0.428E-03 0.227E-03
DAV: 28 -0.383520644371E+03 -0.96018E-04 -0.55526E-06 196 0.497E-03 0.287E-03
DAV: 29 -0.383520683615E+03 -0.39244E-04 -0.20025E-06 220 0.292E-03 0.160E-03
DAV: 30 -0.383520699671E+03 -0.16056E-04 -0.98712E-07 220 0.220E-03 0.690E-04
DAV: 31 -0.383520720346E+03 -0.20674E-04 -0.77140E-07 220 0.160E-03 0.486E-04
DAV: 32 -0.383520728283E+03 -0.79377E-05 -0.34760E-07 220 0.104E-03
1 F= -.38352073E+03 E0= -.38353414E+03 d E =0.402367E-01