iterations/neb0_image03_iter64_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 0.144847513651E+04 0.14485E+04 -0.44197E+04 330 0.697E+02
DAV: 2 0.224130181453E+03 -0.12243E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362687474866E+03 -0.58682E+03 -0.58357E+03 345 0.114E+02
DAV: 4 -0.433441140147E+03 -0.70754E+02 -0.70524E+02 309 0.509E+01
DAV: 5 -0.435036801190E+03 -0.15957E+01 -0.15931E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389068012775E+03 0.45969E+02 -0.14819E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385604900674E+03 0.34631E+01 -0.13660E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384142375595E+03 0.14625E+01 -0.25310E+00 336 0.391E+00 0.441E+00
DAV: 9 -0.383606878045E+03 0.53550E+00 -0.18412E+00 354 0.247E+00 0.142E+00
DAV: 10 -0.383510667040E+03 0.96211E-01 -0.18260E-01 327 0.116E+00 0.105E+00
DAV: 11 -0.383487381153E+03 0.23286E-01 -0.31955E-01 336 0.986E-01 0.832E-01
DAV: 12 -0.383460199227E+03 0.27182E-01 -0.30723E-02 327 0.497E-01 0.562E-01
DAV: 13 -0.383450048892E+03 0.10150E-01 -0.34728E-02 327 0.499E-01 0.641E-01
DAV: 14 -0.383442195971E+03 0.78529E-02 -0.85686E-02 336 0.476E-01 0.544E-01
DAV: 15 -0.383439357715E+03 0.28383E-02 -0.13225E-02 309 0.326E-01 0.397E-01
DAV: 16 -0.383440091078E+03 -0.73336E-03 -0.50970E-03 327 0.264E-01 0.252E-01
DAV: 17 -0.383446245950E+03 -0.61549E-02 -0.13862E-02 309 0.213E-01 0.321E-01
DAV: 18 -0.383452279876E+03 -0.60339E-02 -0.45014E-03 318 0.159E-01 0.162E-01
DAV: 19 -0.383463948614E+03 -0.11669E-01 -0.29448E-03 300 0.161E-01 0.132E-01
DAV: 20 -0.383470959393E+03 -0.70108E-02 -0.22537E-03 327 0.130E-01 0.602E-02
DAV: 21 -0.383476472473E+03 -0.55131E-02 -0.58244E-04 318 0.642E-02 0.607E-02
DAV: 22 -0.383480399592E+03 -0.39271E-02 -0.16153E-04 372 0.294E-02 0.777E-02
DAV: 23 -0.383486588515E+03 -0.61889E-02 -0.51072E-04 291 0.454E-02 0.339E-02
DAV: 24 -0.383488132342E+03 -0.15438E-02 -0.14991E-04 354 0.259E-02 0.210E-02
DAV: 25 -0.383488553419E+03 -0.42108E-03 -0.23201E-05 282 0.117E-02 0.132E-02
DAV: 26 -0.383489484620E+03 -0.93120E-03 -0.35394E-05 273 0.112E-02 0.126E-02
DAV: 27 -0.383490271566E+03 -0.78695E-03 -0.33927E-05 291 0.109E-02 0.696E-03
DAV: 28 -0.383490498530E+03 -0.22696E-03 -0.68195E-06 237 0.564E-03 0.410E-03
DAV: 29 -0.383490600894E+03 -0.10236E-03 -0.38853E-06 228 0.444E-03 0.302E-03
DAV: 30 -0.383490716129E+03 -0.11524E-03 -0.38026E-06 201 0.420E-03 0.200E-03
DAV: 31 -0.383490741283E+03 -0.25154E-04 -0.13245E-06 237 0.228E-03 0.130E-03
DAV: 32 -0.383490776541E+03 -0.35258E-04 -0.16205E-06 183 0.277E-03 0.154E-03
DAV: 33 -0.383490788954E+03 -0.12413E-04 -0.60025E-07 228 0.168E-03 0.780E-04
DAV: 34 -0.383490792697E+03 -0.37432E-05 -0.24450E-07 237 0.103E-03
1 F= -.38349079E+03 E0= -.38350746E+03 d E =0.499890E-01