./iterations/neb0_image06_iter9_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.162840484901E+04 0.16284E+04 -0.42283E+04 306 0.696E+02
DAV: 2 0.303271492149E+03 -0.13251E+04 -0.12466E+04 420 0.167E+02
DAV: 3 -0.352259738915E+03 -0.65553E+03 -0.65035E+03 356 0.123E+02
DAV: 4 -0.432949769441E+03 -0.80690E+02 -0.80343E+02 308 0.545E+01
DAV: 5 -0.434857912631E+03 -0.19081E+01 -0.19044E+01 332 0.848E+00 0.426E+01
DAV: 6 -0.388968764083E+03 0.45889E+02 -0.14873E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385463291038E+03 0.35055E+01 -0.12331E+01 340 0.779E+00 0.104E+01
DAV: 8 -0.384033164417E+03 0.14301E+01 -0.19306E+00 332 0.377E+00 0.421E+00
DAV: 9 -0.383496618561E+03 0.53655E+00 -0.14269E+00 332 0.217E+00 0.105E+00
DAV: 10 -0.383439416426E+03 0.57202E-01 -0.10632E-01 332 0.950E-01 0.796E-01
DAV: 11 -0.383411774161E+03 0.27642E-01 -0.15498E-01 348 0.775E-01 0.810E-01
DAV: 12 -0.383390643855E+03 0.21130E-01 -0.86470E-02 348 0.463E-01 0.400E-01
DAV: 13 -0.383379391388E+03 0.11252E-01 -0.10328E-02 324 0.365E-01 0.233E-01
DAV: 14 -0.383375983011E+03 0.34084E-02 -0.14052E-02 316 0.470E-01 0.180E-01
DAV: 15 -0.383381626110E+03 -0.56431E-02 -0.11983E-02 316 0.377E-01 0.129E-01
DAV: 16 -0.383393757709E+03 -0.12132E-01 -0.15071E-02 356 0.266E-01 0.478E-01
DAV: 17 -0.383393529941E+03 0.22777E-03 -0.26325E-03 324 0.141E-01 0.153E-01
DAV: 18 -0.383400855866E+03 -0.73259E-02 -0.22850E-03 284 0.119E-01 0.802E-02
DAV: 19 -0.383407863164E+03 -0.70073E-02 -0.66168E-04 332 0.915E-02 0.619E-02
DAV: 20 -0.383416122546E+03 -0.82594E-02 -0.10620E-03 340 0.103E-01 0.116E-01
DAV: 21 -0.383420184399E+03 -0.40619E-02 -0.59357E-04 340 0.775E-02 0.672E-02
DAV: 22 -0.383422579507E+03 -0.23951E-02 -0.26377E-04 340 0.530E-02 0.234E-02
DAV: 23 -0.383424428109E+03 -0.18486E-02 -0.17700E-04 372 0.520E-02 0.421E-02
DAV: 24 -0.383424401111E+03 0.26998E-04 -0.68074E-05 332 0.198E-02 0.425E-02
DAV: 25 -0.383424496396E+03 -0.95285E-04 -0.16484E-06 228 0.383E-03 0.454E-02
DAV: 26 -0.383425344166E+03 -0.84777E-03 -0.47301E-04 292 0.461E-02 0.834E-02
DAV: 27 -0.383425738743E+03 -0.39458E-03 -0.53366E-05 332 0.171E-02 0.934E-02
DAV: 28 -0.383425725258E+03 0.13485E-04 -0.16993E-06 228 0.435E-03 0.943E-02
DAV: 29 -0.383426133639E+03 -0.40838E-03 -0.13057E-04 324 0.342E-02 0.117E-01
DAV: 30 -0.383426968877E+03 -0.83524E-03 -0.46662E-04 348 0.673E-02 0.163E-01
DAV: 31 -0.383427117716E+03 -0.14884E-03 -0.15218E-04 332 0.371E-02 0.185E-01
DAV: 32 -0.383427320049E+03 -0.20233E-03 -0.28189E-05 268 0.180E-02 0.190E-01
DAV: 33 -0.383427483030E+03 -0.16298E-03 -0.53488E-05 324 0.371E-02 0.193E-01
DAV: 34 -0.383427662734E+03 -0.17970E-03 -0.11534E-04 348 0.358E-02 0.200E-01
DAV: 35 -0.383427731476E+03 -0.68742E-04 -0.44899E-05 332 0.215E-02 0.209E-01
DAV: 36 -0.383427746046E+03 -0.14571E-04 -0.35117E-06 236 0.690E-03 0.210E-01
DAV: 37 -0.383427782377E+03 -0.36331E-04 -0.40990E-06 212 0.853E-03 0.212E-01
DAV: 38 -0.383427691495E+03 0.90883E-04 -0.14450E-05 220 0.214E-02 0.207E-01
DAV: 39 -0.383427810448E+03 -0.11895E-03 -0.14260E-05 220 0.232E-02 0.214E-01
DAV: 40 -0.383428132484E+03 -0.32204E-03 -0.28293E-04 380 0.857E-02 0.219E-01
DAV: 41 -0.383428014300E+03 0.11818E-03 -0.89091E-05 292 0.342E-02 0.223E-01
DAV: 42 -0.383428103889E+03 -0.89589E-04 -0.18996E-05 244 0.172E-02 0.230E-01
DAV: 43 -0.383428378510E+03 -0.27462E-03 -0.67971E-05 332 0.353E-02 0.241E-01
DAV: 44 -0.383428463830E+03 -0.85319E-04 -0.70946E-05 356 0.209E-02 0.251E-01
DAV: 45 -0.383428459325E+03 0.45047E-05 -0.46553E-06 196 0.582E-03
1 F= -.38342846E+03 E0= -.38344214E+03 d E =0.410319E-01