./iterations/neb0_image04_iter40_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 0.151120443652E+04 0.15112E+04 -0.43533E+04 322 0.697E+02
DAV: 2 0.254420008807E+03 -0.12568E+04 -0.11800E+04 428 0.164E+02
DAV: 3 -0.354200320905E+03 -0.60862E+03 -0.60495E+03 348 0.118E+02
DAV: 4 -0.433095317730E+03 -0.78895E+02 -0.78552E+02 316 0.536E+01
DAV: 5 -0.434956071398E+03 -0.18608E+01 -0.18574E+01 340 0.832E+00 0.426E+01
DAV: 6 -0.389169214679E+03 0.45787E+02 -0.14840E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385717576057E+03 0.34516E+01 -0.12677E+01 340 0.780E+00 0.104E+01
DAV: 8 -0.384317094616E+03 0.14005E+01 -0.31638E+00 332 0.389E+00 0.430E+00
DAV: 9 -0.383742352189E+03 0.57474E+00 -0.68742E-01 332 0.205E+00 0.976E-01
DAV: 10 -0.383687538733E+03 0.54813E-01 -0.16671E-01 356 0.964E-01 0.826E-01
DAV: 11 -0.383671087817E+03 0.16451E-01 -0.10643E-01 348 0.463E-01 0.588E-01
DAV: 12 -0.383643572905E+03 0.27515E-01 -0.19547E-02 308 0.443E-01 0.329E-01
DAV: 13 -0.383629723966E+03 0.13849E-01 -0.29975E-02 308 0.506E-01 0.256E-01
DAV: 14 -0.383636879184E+03 -0.71552E-02 -0.23932E-02 316 0.398E-01 0.195E-01
DAV: 15 -0.383642648613E+03 -0.57694E-02 -0.41407E-03 300 0.230E-01 0.134E-01
DAV: 16 -0.383654591406E+03 -0.11943E-01 -0.38624E-03 292 0.198E-01 0.760E-02
DAV: 17 -0.383665619820E+03 -0.11028E-01 -0.34176E-03 332 0.172E-01 0.681E-02
DAV: 18 -0.383672299510E+03 -0.66797E-02 -0.93017E-04 316 0.842E-02 0.406E-02
DAV: 19 -0.383677868985E+03 -0.55695E-02 -0.41328E-04 308 0.494E-02 0.230E-02
DAV: 20 -0.383682813649E+03 -0.49447E-02 -0.24764E-04 308 0.382E-02 0.172E-02
DAV: 21 -0.383685079073E+03 -0.22654E-02 -0.14670E-04 300 0.273E-02 0.169E-02
DAV: 22 -0.383686347158E+03 -0.12681E-02 -0.60137E-05 284 0.162E-02 0.635E-03
DAV: 23 -0.383687092779E+03 -0.74562E-03 -0.34538E-05 284 0.130E-02 0.615E-03
DAV: 24 -0.383687488221E+03 -0.39544E-03 -0.14281E-05 236 0.854E-03 0.408E-03
DAV: 25 -0.383687689356E+03 -0.20113E-03 -0.97551E-06 220 0.764E-03 0.251E-03
DAV: 26 -0.383687798812E+03 -0.10946E-03 -0.50843E-06 220 0.505E-03 0.255E-03
DAV: 27 -0.383687833710E+03 -0.34898E-04 -0.19239E-06 228 0.347E-03 0.135E-03
DAV: 28 -0.383687853877E+03 -0.20168E-04 -0.14517E-06 228 0.320E-03 0.101E-03
DAV: 29 -0.383687872422E+03 -0.18545E-04 -0.75850E-07 212 0.184E-03 0.909E-04
DAV: 30 -0.383687878948E+03 -0.65257E-05 -0.33085E-07 228 0.122E-03
1 F= -.38368788E+03 E0= -.38369635E+03 d E =0.254047E-01