./iterations/neb0_image05_iter15_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 0.151205575960E+04 0.15121E+04 -0.43538E+04 322 0.697E+02
DAV: 2 0.252934246749E+03 -0.12591E+04 -0.11817E+04 428 0.164E+02
DAV: 3 -0.356666638517E+03 -0.60960E+03 -0.60579E+03 356 0.118E+02
DAV: 4 -0.433086571594E+03 -0.76420E+02 -0.76094E+02 308 0.521E+01
DAV: 5 -0.434877660148E+03 -0.17911E+01 -0.17877E+01 332 0.810E+00 0.426E+01
DAV: 6 -0.389087484456E+03 0.45790E+02 -0.14890E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385627636822E+03 0.34598E+01 -0.12580E+01 340 0.780E+00 0.104E+01
DAV: 8 -0.384219411257E+03 0.14082E+01 -0.29953E+00 340 0.391E+00 0.427E+00
DAV: 9 -0.383648358359E+03 0.57105E+00 -0.67060E-01 332 0.204E+00 0.965E-01
DAV: 10 -0.383590615206E+03 0.57743E-01 -0.13221E-01 348 0.965E-01 0.700E-01
DAV: 11 -0.383568284163E+03 0.22331E-01 -0.36949E-02 316 0.458E-01 0.505E-01
DAV: 12 -0.383546430526E+03 0.21854E-01 -0.60186E-02 324 0.501E-01 0.495E-01
DAV: 13 -0.383538759160E+03 0.76714E-02 -0.41773E-02 332 0.349E-01 0.211E-01
DAV: 14 -0.383538185746E+03 0.57341E-03 -0.92462E-03 300 0.358E-01 0.150E-01
DAV: 15 -0.383547952079E+03 -0.97663E-02 -0.70839E-03 324 0.264E-01 0.114E-01
DAV: 16 -0.383559246659E+03 -0.11295E-01 -0.29901E-03 300 0.217E-01 0.689E-02
DAV: 17 -0.383569857628E+03 -0.10611E-01 -0.28414E-03 332 0.180E-01 0.588E-02
DAV: 18 -0.383576581056E+03 -0.67234E-02 -0.10829E-03 324 0.923E-02 0.411E-02
DAV: 19 -0.383582191073E+03 -0.56100E-02 -0.31147E-04 300 0.462E-02 0.232E-02
DAV: 20 -0.383587506993E+03 -0.53159E-02 -0.29838E-04 300 0.436E-02 0.192E-02
DAV: 21 -0.383590151187E+03 -0.26442E-02 -0.20600E-04 300 0.361E-02 0.102E-02
DAV: 22 -0.383591307326E+03 -0.11561E-02 -0.61994E-05 316 0.192E-02 0.902E-03
DAV: 23 -0.383591969479E+03 -0.66215E-03 -0.25614E-05 244 0.147E-02 0.511E-03
DAV: 24 -0.383592396253E+03 -0.42677E-03 -0.22934E-05 252 0.110E-02 0.426E-03
DAV: 25 -0.383592563786E+03 -0.16753E-03 -0.63057E-06 228 0.744E-03 0.196E-03
DAV: 26 -0.383592681754E+03 -0.11797E-03 -0.48827E-06 212 0.546E-03 0.173E-03
DAV: 27 -0.383592735337E+03 -0.53583E-04 -0.22271E-06 228 0.383E-03 0.824E-04
DAV: 28 -0.383592766298E+03 -0.30960E-04 -0.18481E-06 212 0.311E-03 0.960E-04
DAV: 29 -0.383592774870E+03 -0.85723E-05 -0.64182E-07 228 0.219E-03
1 F= -.38359277E+03 E0= -.38360125E+03 d E =0.254207E-01