iterations/neb0_image06_iter39_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 0.138262462765E+04 0.13826E+04 -0.43681E+04 330 0.697E+02
DAV: 2 0.221653539552E+03 -0.11610E+04 -0.10950E+04 426 0.160E+02
DAV: 3 -0.314843995525E+03 -0.53650E+03 -0.52829E+03 354 0.110E+02
DAV: 4 -0.387425439462E+03 -0.72581E+02 -0.71398E+02 309 0.480E+01
DAV: 5 -0.389457473469E+03 -0.20320E+01 -0.20194E+01 327 0.825E+00 0.424E+01
DAV: 6 -0.364665442890E+03 0.24792E+02 -0.30581E+02 300 0.310E+01 0.306E+01
DAV: 7 -0.351302331307E+03 0.13363E+02 -0.10647E+02 318 0.141E+01 0.182E+01
DAV: 8 -0.345721733251E+03 0.55806E+01 -0.44455E+01 309 0.918E+00 0.167E+01
DAV: 9 -0.347908411134E+03 -0.21867E+01 -0.95948E+01 363 0.513E+00 0.209E+01
DAV: 10 -0.345332373299E+03 0.25760E+01 -0.31098E+01 363 0.388E+00 0.149E+01
DAV: 11 -0.343206630610E+03 0.21257E+01 -0.85463E+00 354 0.464E+00 0.126E+01
DAV: 12 -0.342478833619E+03 0.72780E+00 -0.11429E+01 318 0.197E+00 0.617E+00
DAV: 13 -0.342300477934E+03 0.17836E+00 -0.19219E-01 309 0.788E-01 0.457E+00
DAV: 14 -0.342292485353E+03 0.79926E-02 -0.20840E-02 381 0.337E-01 0.420E+00
DAV: 15 -0.342163134668E+03 0.12935E+00 -0.83626E-02 336 0.648E-01 0.237E+00
DAV: 16 -0.342197943817E+03 -0.34809E-01 -0.56806E-01 381 0.571E-01 0.321E+00
DAV: 17 -0.342139208618E+03 0.58735E-01 -0.13606E-01 327 0.479E-01 0.112E+00
DAV: 18 -0.342122160855E+03 0.17048E-01 -0.57424E-02 327 0.579E-01 0.109E+00
DAV: 19 -0.342117897596E+03 0.42633E-02 -0.17387E-02 345 0.348E-01 0.151E+00
DAV: 20 -0.342116391317E+03 0.15063E-02 -0.50446E-02 345 0.355E-01 0.809E-01
DAV: 21 -0.342114964175E+03 0.14271E-02 -0.90099E-03 318 0.334E-01 0.498E-01
DAV: 22 -0.342120943863E+03 -0.59797E-02 -0.12396E-02 327 0.264E-01 0.726E-01
DAV: 23 -0.342124870023E+03 -0.39262E-02 -0.12017E-02 318 0.159E-01 0.746E-01
DAV: 24 -0.342128340665E+03 -0.34706E-02 -0.21827E-02 291 0.123E-01 0.631E-01
DAV: 25 -0.342129042472E+03 -0.70181E-03 -0.11778E-03 327 0.792E-02 0.457E-01
DAV: 26 -0.342129167343E+03 -0.12487E-03 -0.13431E-04 318 0.283E-02 0.463E-01
DAV: 27 -0.342129146916E+03 0.20428E-04 -0.60306E-06 219 0.510E-03 0.474E-01
DAV: 28 -0.342128884060E+03 0.26286E-03 -0.87457E-05 255 0.225E-02 0.424E-01
DAV: 29 -0.342131209224E+03 -0.23252E-02 -0.22574E-03 345 0.152E-01 0.532E-01
DAV: 30 -0.342133923912E+03 -0.27147E-02 -0.22373E-03 327 0.944E-02 0.285E-01
DAV: 31 -0.342138216242E+03 -0.42923E-02 -0.74312E-04 354 0.119E-01 0.328E-01
DAV: 32 -0.342139612018E+03 -0.13958E-02 -0.11432E-03 399 0.125E-01 0.395E-01
DAV: 33 -0.342140387658E+03 -0.77564E-03 -0.18131E-03 327 0.187E-01 0.290E-01
DAV: 34 -0.342141893997E+03 -0.15063E-02 -0.29762E-03 381 0.138E-01 0.206E-01
DAV: 35 -0.342143789138E+03 -0.18951E-02 -0.79537E-04 309 0.627E-02 0.189E-01
DAV: 36 -0.342144527601E+03 -0.73846E-03 -0.50859E-04 381 0.122E-01 0.169E-01
DAV: 37 -0.342144091281E+03 0.43632E-03 -0.11857E-03 381 0.925E-02 0.120E-01
DAV: 38 -0.342144179692E+03 -0.88411E-04 -0.61108E-04 336 0.504E-02 0.884E-02
DAV: 39 -0.342144277591E+03 -0.97899E-04 -0.65749E-05 273 0.158E-02 0.939E-02
DAV: 40 -0.342144351747E+03 -0.74156E-04 -0.13303E-04 255 0.212E-02 0.822E-02
DAV: 41 -0.342144609965E+03 -0.25822E-03 -0.81783E-05 228 0.175E-02 0.665E-02
DAV: 42 -0.342145849254E+03 -0.12393E-02 -0.90190E-04 408 0.660E-02 0.140E-01
DAV: 43 -0.342145569763E+03 0.27949E-03 -0.56125E-04 318 0.582E-02 0.503E-02
DAV: 44 -0.342145667985E+03 -0.98222E-04 -0.16089E-04 318 0.227E-02 0.279E-02
DAV: 45 -0.342145908514E+03 -0.24053E-03 -0.19907E-04 300 0.263E-02 0.650E-02
DAV: 46 -0.342146256075E+03 -0.34756E-03 -0.77602E-05 291 0.141E-02 0.631E-02
DAV: 47 -0.342146314932E+03 -0.58857E-04 -0.26481E-05 228 0.118E-02 0.448E-02
DAV: 48 -0.342146349250E+03 -0.34319E-04 -0.59320E-05 273 0.151E-02 0.177E-02
DAV: 49 -0.342146365654E+03 -0.16404E-04 -0.15152E-05 264 0.816E-03 0.955E-03
DAV: 50 -0.342146371001E+03 -0.53465E-05 -0.18902E-06 192 0.320E-03
1 F= -.34214637E+03 E0= -.34212828E+03 d E =-.542604E-01