./iterations/neb0_image05_iter33_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 0.151218525030E+04 0.15122E+04 -0.43540E+04 322 0.697E+02
DAV: 2 0.253451092964E+03 -0.12587E+04 -0.11817E+04 428 0.164E+02
DAV: 3 -0.354522762589E+03 -0.60797E+03 -0.60423E+03 348 0.118E+02
DAV: 4 -0.433042140478E+03 -0.78519E+02 -0.78185E+02 308 0.535E+01
DAV: 5 -0.434909542377E+03 -0.18674E+01 -0.18639E+01 332 0.832E+00 0.426E+01
DAV: 6 -0.389126676439E+03 0.45783E+02 -0.14820E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385655693760E+03 0.34710E+01 -0.12583E+01 340 0.780E+00 0.104E+01
DAV: 8 -0.384249026765E+03 0.14067E+01 -0.27353E+00 340 0.384E+00 0.425E+00
DAV: 9 -0.383673931022E+03 0.57510E+00 -0.65501E-01 332 0.203E+00 0.941E-01
DAV: 10 -0.383625937949E+03 0.47993E-01 -0.17875E-01 340 0.954E-01 0.907E-01
DAV: 11 -0.383610710693E+03 0.15227E-01 -0.13328E-01 348 0.448E-01 0.626E-01
DAV: 12 -0.383584606399E+03 0.26104E-01 -0.18317E-02 316 0.418E-01 0.352E-01
DAV: 13 -0.383566863763E+03 0.17743E-01 -0.26283E-02 308 0.532E-01 0.209E-01
DAV: 14 -0.383575792603E+03 -0.89288E-02 -0.22363E-02 316 0.485E-01 0.172E-01
DAV: 15 -0.383582272683E+03 -0.64801E-02 -0.57915E-03 300 0.236E-01 0.124E-01
DAV: 16 -0.383593244146E+03 -0.10971E-01 -0.28954E-03 300 0.165E-01 0.924E-02
DAV: 17 -0.383600711745E+03 -0.74676E-02 -0.16236E-03 324 0.155E-01 0.118E-01
DAV: 18 -0.383599871150E+03 0.84059E-03 -0.67341E-04 324 0.835E-02 0.893E-02
DAV: 19 -0.383602776163E+03 -0.29050E-02 -0.24861E-04 316 0.450E-02 0.734E-02
DAV: 20 -0.383612013887E+03 -0.92377E-02 -0.12502E-03 348 0.112E-01 0.500E-02
DAV: 21 -0.383615064948E+03 -0.30511E-02 -0.41689E-04 316 0.554E-02 0.460E-02
DAV: 22 -0.383617606129E+03 -0.25412E-02 -0.31943E-04 348 0.528E-02 0.357E-02
DAV: 23 -0.383621087155E+03 -0.34810E-02 -0.16446E-04 316 0.365E-02 0.206E-02
DAV: 24 -0.383624289471E+03 -0.32023E-02 -0.23971E-04 300 0.321E-02 0.138E-02
DAV: 25 -0.383625459554E+03 -0.11701E-02 -0.51918E-05 300 0.139E-02 0.111E-02
DAV: 26 -0.383625998538E+03 -0.53898E-03 -0.25523E-05 244 0.153E-02 0.421E-03
DAV: 27 -0.383626380894E+03 -0.38236E-03 -0.19273E-05 228 0.106E-02 0.487E-03
DAV: 28 -0.383626590665E+03 -0.20977E-03 -0.73508E-06 212 0.548E-03 0.404E-03
DAV: 29 -0.383626686377E+03 -0.95712E-04 -0.53142E-06 228 0.611E-03 0.171E-03
DAV: 30 -0.383626724892E+03 -0.38515E-04 -0.38010E-06 220 0.534E-03 0.241E-03
DAV: 31 -0.383626742379E+03 -0.17487E-04 -0.11990E-06 220 0.241E-03 0.224E-03
DAV: 32 -0.383626756598E+03 -0.14219E-04 -0.90590E-07 212 0.320E-03 0.724E-04
DAV: 33 -0.383626762692E+03 -0.60935E-05 -0.54063E-07 228 0.186E-03
1 F= -.38362676E+03 E0= -.38363790E+03 d E =0.334267E-01