./iterations/neb0_image06_iter43_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 0.162842870186E+04 0.16284E+04 -0.42278E+04 306 0.696E+02
DAV: 2 0.303413097807E+03 -0.13250E+04 -0.12466E+04 420 0.167E+02
DAV: 3 -0.351919028135E+03 -0.65533E+03 -0.64888E+03 356 0.123E+02
DAV: 4 -0.432923909466E+03 -0.81005E+02 -0.80654E+02 308 0.545E+01
DAV: 5 -0.434843008768E+03 -0.19191E+01 -0.19152E+01 332 0.850E+00 0.426E+01
DAV: 6 -0.389066052134E+03 0.45777E+02 -0.14822E+02 316 0.285E+01 0.208E+01
DAV: 7 -0.385588819159E+03 0.34772E+01 -0.12618E+01 340 0.780E+00 0.104E+01
DAV: 8 -0.384176563139E+03 0.14123E+01 -0.26304E+00 332 0.382E+00 0.424E+00
DAV: 9 -0.383602953151E+03 0.57361E+00 -0.70278E-01 332 0.206E+00 0.991E-01
DAV: 10 -0.383556204598E+03 0.46749E-01 -0.21329E-01 340 0.942E-01 0.731E-01
DAV: 11 -0.383528514177E+03 0.27690E-01 -0.19002E-02 316 0.446E-01 0.510E-01
DAV: 12 -0.383509824357E+03 0.18690E-01 -0.14738E-01 324 0.664E-01 0.821E-01
DAV: 13 -0.383493965698E+03 0.15859E-01 -0.67405E-02 332 0.396E-01 0.252E-01
DAV: 14 -0.383496587778E+03 -0.26221E-02 -0.91815E-03 308 0.294E-01 0.153E-01
DAV: 15 -0.383505426882E+03 -0.88391E-02 -0.61386E-03 332 0.284E-01 0.113E-01
DAV: 16 -0.383515165388E+03 -0.97385E-02 -0.33828E-03 300 0.215E-01 0.819E-02
DAV: 17 -0.383528704702E+03 -0.13539E-01 -0.31986E-03 316 0.202E-01 0.498E-02
DAV: 18 -0.383535384851E+03 -0.66801E-02 -0.15313E-03 324 0.116E-01 0.510E-02
DAV: 19 -0.383539591123E+03 -0.42063E-02 -0.37030E-04 316 0.521E-02 0.346E-02
DAV: 20 -0.383544867619E+03 -0.52765E-02 -0.26463E-04 316 0.488E-02 0.167E-02
DAV: 21 -0.383548394705E+03 -0.35271E-02 -0.32984E-04 300 0.420E-02 0.204E-02
DAV: 22 -0.383550025002E+03 -0.16303E-02 -0.11213E-04 300 0.258E-02 0.115E-02
DAV: 23 -0.383550635684E+03 -0.61068E-03 -0.35915E-05 284 0.149E-02 0.771E-03
DAV: 24 -0.383551007286E+03 -0.37160E-03 -0.12284E-05 220 0.118E-02 0.349E-03
DAV: 25 -0.383551259053E+03 -0.25177E-03 -0.20500E-05 252 0.113E-02 0.604E-03
DAV: 26 -0.383551349437E+03 -0.90384E-04 -0.41508E-06 228 0.839E-03 0.340E-03
DAV: 27 -0.383551399472E+03 -0.50035E-04 -0.65548E-06 220 0.726E-03 0.379E-03
DAV: 28 -0.383551432163E+03 -0.32692E-04 -0.14875E-06 228 0.382E-03 0.241E-03
DAV: 29 -0.383551459198E+03 -0.27035E-04 -0.24938E-06 220 0.488E-03 0.124E-03
DAV: 30 -0.383551471453E+03 -0.12255E-04 -0.63362E-07 228 0.259E-03 0.921E-04
DAV: 31 -0.383551478006E+03 -0.65529E-05 -0.33170E-07 228 0.131E-03
1 F= -.38355148E+03 E0= -.38356002E+03 d E =0.256359E-01