iterations/neb0_image09_iter40_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 0.140245180935E+04 0.14025E+04 -0.41675E+04 312 0.696E+02
DAV: 2 0.306931216556E+03 -0.10955E+04 -0.10517E+04 417 0.157E+02
DAV: 3 -0.187690376132E+03 -0.49462E+03 -0.45962E+03 372 0.105E+02
DAV: 4 -0.267968223367E+03 -0.80278E+02 -0.72455E+02 318 0.416E+01
DAV: 5 -0.272914334733E+03 -0.49461E+01 -0.48139E+01 336 0.977E+00 0.504E+01
DAV: 6 -0.343752546284E+03 -0.70838E+02 -0.50619E+02 309 0.407E+01 0.720E+01
DAV: 7 -0.232478848901E+03 0.11127E+03 -0.99087E+01 279 0.168E+01 0.347E+01
DAV: 8 -0.217928956706E+03 0.14550E+02 -0.50835E+01 273 0.998E+00 0.336E+01
DAV: 9 -0.217984398023E+03 -0.55441E-01 -0.43042E+01 309 0.756E+00 0.411E+01
DAV: 10 -0.210256173750E+03 0.77282E+01 -0.27512E+01 318 0.539E+00 0.262E+01
DAV: 11 -0.207502665364E+03 0.27535E+01 -0.16140E+01 309 0.425E+00 0.318E+01
DAV: 12 -0.206345331038E+03 0.11573E+01 -0.37381E+01 282 0.268E+00 0.249E+01
DAV: 13 -0.205808897218E+03 0.53643E+00 -0.20607E+01 300 0.296E+00 0.256E+01
DAV: 14 -0.204913248700E+03 0.89565E+00 -0.19448E+01 300 0.276E+00 0.282E+01
DAV: 15 -0.201492548238E+03 0.34207E+01 -0.11460E+01 309 0.205E+00 0.239E+01
DAV: 16 -0.201357372168E+03 0.13518E+00 -0.10620E+01 318 0.171E+00 0.261E+01
DAV: 17 -0.201229828188E+03 0.12754E+00 -0.56861E+00 309 0.140E+00 0.198E+01
DAV: 18 -0.200395795580E+03 0.83403E+00 -0.42331E+00 327 0.992E-01 0.136E+01
DAV: 19 -0.199919914401E+03 0.47588E+00 -0.65168E-01 300 0.534E-01 0.897E+00
DAV: 20 -0.200033097771E+03 -0.11318E+00 -0.38803E+00 309 0.482E-01 0.144E+01
DAV: 21 -0.200228423427E+03 -0.19533E+00 -0.34052E+00 318 0.844E-01 0.157E+01
DAV: 22 -0.200470110253E+03 -0.24169E+00 -0.52860E+00 318 0.880E-01 0.158E+01
DAV: 23 -0.199967231908E+03 0.50288E+00 -0.27374E+00 309 0.618E-01 0.987E+00
DAV: 24 -0.199921892532E+03 0.45339E-01 -0.13652E+00 318 0.578E-01 0.115E+01
DAV: 25 -0.199781877710E+03 0.14001E+00 -0.40721E-01 291 0.431E-01 0.602E+00
DAV: 26 -0.199810571329E+03 -0.28694E-01 -0.34000E-01 309 0.297E-01 0.544E+00
DAV: 27 -0.199794855625E+03 0.15716E-01 -0.33094E-01 327 0.275E-01 0.284E+00
DAV: 28 -0.199816481764E+03 -0.21626E-01 -0.10210E-01 327 0.228E-01 0.350E+00
DAV: 29 -0.199808367765E+03 0.81140E-02 -0.79551E-02 309 0.167E-01 0.195E+00
DAV: 30 -0.199821397187E+03 -0.13029E-01 -0.72496E-02 300 0.136E-01 0.180E+00
DAV: 31 -0.199864744486E+03 -0.43347E-01 -0.19521E-01 327 0.180E-01 0.545E+00
DAV: 32 -0.199838716446E+03 0.26028E-01 -0.18878E-01 309 0.157E-01 0.211E+00
DAV: 33 -0.199853172960E+03 -0.14457E-01 -0.15989E-02 309 0.146E-01 0.184E+00
DAV: 34 -0.199859279679E+03 -0.61067E-02 -0.32436E-02 318 0.876E-02 0.135E+00
DAV: 35 -0.199871311987E+03 -0.12032E-01 -0.65102E-03 300 0.919E-02 0.216E+00
DAV: 36 -0.199878996510E+03 -0.76845E-02 -0.48525E-02 297 0.824E-02 0.183E+00
DAV: 37 -0.199883347831E+03 -0.43513E-02 -0.25823E-02 291 0.651E-02 0.971E-01
DAV: 38 -0.199887483345E+03 -0.41355E-02 -0.44997E-03 282 0.519E-02 0.513E-01
DAV: 39 -0.199895056086E+03 -0.75727E-02 -0.28863E-03 300 0.536E-02 0.540E-01
DAV: 40 -0.199898845070E+03 -0.37890E-02 -0.78000E-04 300 0.454E-02 0.213E-01
DAV: 41 -0.199901740360E+03 -0.28953E-02 -0.12286E-03 282 0.258E-02 0.511E-01
DAV: 42 -0.199902917700E+03 -0.11773E-02 -0.65527E-04 282 0.212E-02 0.229E-01
DAV: 43 -0.199903721527E+03 -0.80383E-03 -0.21792E-04 237 0.145E-02 0.697E-02
DAV: 44 -0.199904926753E+03 -0.12052E-02 -0.11180E-04 237 0.145E-02 0.826E-02
DAV: 45 -0.199905518192E+03 -0.59144E-03 -0.76178E-05 219 0.816E-03 0.113E-01
DAV: 46 -0.199905928111E+03 -0.40992E-03 -0.46671E-05 219 0.929E-03 0.779E-02
DAV: 47 -0.199906121734E+03 -0.19362E-03 -0.65212E-05 219 0.478E-03 0.610E-02
DAV: 48 -0.199906280087E+03 -0.15835E-03 -0.26552E-05 210 0.566E-03 0.367E-02
DAV: 49 -0.199906351679E+03 -0.71592E-04 -0.86502E-06 192 0.312E-03 0.823E-03
DAV: 50 -0.199906398570E+03 -0.46891E-04 -0.27129E-06 183 0.226E-03 0.501E-03
DAV: 51 -0.199906425646E+03 -0.27076E-04 -0.20307E-06 165 0.160E-03 0.328E-03
DAV: 52 -0.199906449836E+03 -0.24191E-04 -0.21106E-06 165 0.155E-03 0.225E-03
DAV: 53 -0.199906460206E+03 -0.10369E-04 -0.11445E-06 165 0.115E-03 0.416E-03
DAV: 54 -0.199906466400E+03 -0.61947E-05 -0.68219E-07 174 0.842E-04
1 F= -.19990647E+03 E0= -.19964595E+03 d E =-.781561E+00