./iterations/neb0_image04_iter25_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.151133792462E+04 0.15113E+04 -0.43534E+04 322 0.697E+02
DAV: 2 0.254251222877E+03 -0.12571E+04 -0.11803E+04 428 0.164E+02
DAV: 3 -0.354302017372E+03 -0.60855E+03 -0.60488E+03 348 0.118E+02
DAV: 4 -0.433118240955E+03 -0.78816E+02 -0.78474E+02 316 0.536E+01
DAV: 5 -0.434976071366E+03 -0.18578E+01 -0.18545E+01 340 0.831E+00 0.426E+01
DAV: 6 -0.389162401492E+03 0.45814E+02 -0.14850E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385706074502E+03 0.34563E+01 -0.12638E+01 340 0.781E+00 0.104E+01
DAV: 8 -0.384293727376E+03 0.14123E+01 -0.20904E+00 332 0.377E+00 0.422E+00
DAV: 9 -0.383735905952E+03 0.55782E+00 -0.84524E-01 332 0.205E+00 0.133E+00
DAV: 10 -0.383691676720E+03 0.44229E-01 -0.54384E-01 372 0.102E+00 0.824E-01
DAV: 11 -0.383662507494E+03 0.29169E-01 -0.28017E-02 308 0.465E-01 0.674E-01
DAV: 12 -0.383641079933E+03 0.21428E-01 -0.15503E-01 340 0.606E-01 0.888E-01
DAV: 13 -0.383633818890E+03 0.72610E-02 -0.21781E-01 324 0.477E-01 0.900E-01
DAV: 14 -0.383622361638E+03 0.11457E-01 -0.12302E-01 332 0.405E-01 0.413E-01
DAV: 15 -0.383624859807E+03 -0.24982E-02 -0.16748E-02 300 0.279E-01 0.178E-01
DAV: 16 -0.383632967084E+03 -0.81073E-02 -0.10981E-02 300 0.322E-01 0.176E-01
DAV: 17 -0.383640540788E+03 -0.75737E-02 -0.58462E-03 332 0.205E-01 0.122E-01
DAV: 18 -0.383650571645E+03 -0.10031E-01 -0.46370E-03 324 0.193E-01 0.154E-01
DAV: 19 -0.383654668266E+03 -0.40966E-02 -0.25146E-03 340 0.147E-01 0.109E-01
DAV: 20 -0.383654705125E+03 -0.36859E-04 -0.46521E-04 324 0.541E-02 0.105E-01
DAV: 21 -0.383655069431E+03 -0.36431E-03 -0.28363E-05 228 0.101E-02 0.100E-01
DAV: 22 -0.383660348879E+03 -0.52794E-02 -0.50105E-03 284 0.166E-01 0.248E-01
DAV: 23 -0.383662579287E+03 -0.22304E-02 -0.19507E-03 340 0.119E-01 0.345E-01
DAV: 24 -0.383663161621E+03 -0.58233E-03 -0.20369E-04 332 0.384E-02 0.370E-01
DAV: 25 -0.383665654018E+03 -0.24924E-02 -0.68950E-04 332 0.795E-02 0.428E-01
DAV: 26 -0.383668139936E+03 -0.24859E-02 -0.77589E-04 380 0.102E-01 0.425E-01
DAV: 27 -0.383670149657E+03 -0.20097E-02 -0.79168E-04 348 0.792E-02 0.426E-01
DAV: 28 -0.383672566206E+03 -0.24165E-02 -0.36463E-04 340 0.617E-02 0.479E-01
DAV: 29 -0.383677349307E+03 -0.47831E-02 -0.15073E-03 372 0.127E-01 0.595E-01
DAV: 30 -0.383679156465E+03 -0.18072E-02 -0.86313E-04 356 0.883E-02 0.642E-01
DAV: 31 -0.383679982013E+03 -0.82555E-03 -0.30282E-04 348 0.572E-02 0.683E-01
DAV: 32 -0.383678825739E+03 0.11563E-02 -0.49993E-04 364 0.878E-02 0.621E-01
DAV: 33 -0.383677645413E+03 0.11803E-02 -0.25842E-03 396 0.154E-01 0.492E-01
DAV: 34 -0.383678016138E+03 -0.37072E-03 -0.65039E-04 308 0.685E-02 0.441E-01
DAV: 35 -0.383677735962E+03 0.28018E-03 -0.38722E-04 412 0.656E-02 0.384E-01
DAV: 36 -0.383677866618E+03 -0.13066E-03 -0.35722E-04 348 0.636E-02 0.328E-01
DAV: 37 -0.383677851098E+03 0.15520E-04 -0.17598E-04 332 0.411E-02 0.294E-01
DAV: 38 -0.383677850083E+03 0.10151E-05 -0.19072E-05 292 0.146E-02
1 F= -.38367785E+03 E0= -.38369397E+03 d E =0.483460E-01