./iterations/neb0_image02_iter28_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 0.150988123987E+04 0.15099E+04 -0.43522E+04 322 0.697E+02
DAV: 2 0.254366545786E+03 -0.12555E+04 -0.11785E+04 428 0.164E+02
DAV: 3 -0.354406734847E+03 -0.60877E+03 -0.60470E+03 348 0.118E+02
DAV: 4 -0.433211043352E+03 -0.78804E+02 -0.78476E+02 316 0.536E+01
DAV: 5 -0.435071311561E+03 -0.18603E+01 -0.18571E+01 340 0.832E+00 0.426E+01
DAV: 6 -0.389203550755E+03 0.45868E+02 -0.14894E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385746940101E+03 0.34566E+01 -0.12503E+01 340 0.776E+00 0.104E+01
DAV: 8 -0.384316981368E+03 0.14300E+01 -0.18362E+00 332 0.369E+00 0.418E+00
DAV: 9 -0.383767336321E+03 0.54965E+00 -0.69137E-01 324 0.193E+00 0.978E-01
DAV: 10 -0.383724902696E+03 0.42434E-01 -0.14656E-01 348 0.848E-01 0.881E-01
DAV: 11 -0.383704550171E+03 0.20353E-01 -0.12860E-01 348 0.525E-01 0.800E-01
DAV: 12 -0.383684431330E+03 0.20119E-01 -0.92653E-02 332 0.364E-01 0.440E-01
DAV: 13 -0.383666263442E+03 0.18168E-01 -0.38165E-02 308 0.486E-01 0.330E-01
DAV: 14 -0.383665213654E+03 0.10498E-02 -0.14850E-02 316 0.363E-01 0.195E-01
DAV: 15 -0.383674085265E+03 -0.88716E-02 -0.88165E-03 308 0.280E-01 0.235E-01
DAV: 16 -0.383680372001E+03 -0.62867E-02 -0.47161E-03 316 0.184E-01 0.205E-01
DAV: 17 -0.383691534537E+03 -0.11163E-01 -0.64081E-03 300 0.205E-01 0.175E-01
DAV: 18 -0.383699129000E+03 -0.75945E-02 -0.28948E-03 324 0.146E-01 0.130E-01
DAV: 19 -0.383703197537E+03 -0.40685E-02 -0.11757E-03 340 0.858E-02 0.617E-02
DAV: 20 -0.383708741641E+03 -0.55441E-02 -0.34308E-04 324 0.668E-02 0.426E-02
DAV: 21 -0.383711909789E+03 -0.31681E-02 -0.32240E-04 348 0.644E-02 0.462E-02
DAV: 22 -0.383711237262E+03 0.67253E-03 -0.11662E-04 316 0.332E-02 0.469E-02
DAV: 23 -0.383711642232E+03 -0.40497E-03 -0.15403E-04 364 0.408E-02 0.579E-02
DAV: 24 -0.383712523613E+03 -0.88138E-03 -0.62714E-04 404 0.947E-02 0.534E-02
DAV: 25 -0.383715497468E+03 -0.29739E-02 -0.10410E-03 388 0.125E-01 0.715E-02
DAV: 26 -0.383716495024E+03 -0.99756E-03 -0.81630E-04 364 0.103E-01 0.101E-01
DAV: 27 -0.383716783953E+03 -0.28893E-03 -0.51652E-04 316 0.987E-02 0.996E-02
DAV: 28 -0.383717118612E+03 -0.33466E-03 -0.18735E-03 388 0.185E-01 0.873E-02
DAV: 29 -0.383717227494E+03 -0.10888E-03 -0.99995E-04 316 0.620E-02 0.596E-02
DAV: 30 -0.383719068484E+03 -0.18410E-02 -0.96064E-05 284 0.477E-02 0.754E-02
DAV: 31 -0.383719822717E+03 -0.75423E-03 -0.33111E-04 364 0.107E-01 0.113E-01
DAV: 32 -0.383719881517E+03 -0.58800E-04 -0.18336E-04 300 0.518E-02 0.828E-02
DAV: 33 -0.383720026832E+03 -0.14531E-03 -0.51657E-05 300 0.307E-02 0.699E-02
DAV: 34 -0.383720075291E+03 -0.48459E-04 -0.43316E-05 308 0.152E-02 0.836E-02
DAV: 35 -0.383720136123E+03 -0.60832E-04 -0.48560E-05 300 0.202E-02 0.107E-01
DAV: 36 -0.383720423182E+03 -0.28706E-03 -0.59777E-05 300 0.164E-02 0.125E-01
DAV: 37 -0.383721319046E+03 -0.89586E-03 -0.36468E-04 380 0.982E-02 0.132E-01
DAV: 38 -0.383722391966E+03 -0.10729E-02 -0.13680E-03 300 0.835E-02 0.207E-01
DAV: 39 -0.383722618496E+03 -0.22653E-03 -0.83748E-05 364 0.468E-02 0.206E-01
DAV: 40 -0.383722949599E+03 -0.33110E-03 -0.23029E-04 308 0.430E-02 0.233E-01
DAV: 41 -0.383722973046E+03 -0.23447E-04 -0.23797E-05 268 0.362E-02 0.216E-01
DAV: 42 -0.383722953752E+03 0.19294E-04 -0.69778E-05 332 0.335E-02 0.194E-01
DAV: 43 -0.383723071301E+03 -0.11755E-03 -0.53161E-05 300 0.253E-02 0.196E-01
DAV: 44 -0.383723210865E+03 -0.13956E-03 -0.24333E-05 300 0.245E-02 0.198E-01
DAV: 45 -0.383723448316E+03 -0.23745E-03 -0.48900E-05 316 0.441E-02 0.200E-01
DAV: 46 -0.383723604954E+03 -0.15664E-03 -0.95861E-05 340 0.344E-02 0.202E-01
DAV: 47 -0.383723797944E+03 -0.19299E-03 -0.99881E-05 356 0.323E-02 0.220E-01
DAV: 48 -0.383723741119E+03 0.56825E-04 -0.18346E-05 284 0.125E-02 0.220E-01
DAV: 49 -0.383723757080E+03 -0.15961E-04 -0.11532E-06 212 0.409E-03 0.220E-01
DAV: 50 -0.383723757964E+03 -0.88449E-06 -0.26400E-07 172 0.119E-03
1 F= -.38372376E+03 E0= -.38374142E+03 d E =0.529809E-01