./iterations/neb0_image08_iter44_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 0.163327981505E+04 0.16333E+04 -0.42283E+04 306 0.696E+02
DAV: 2 0.305948500364E+03 -0.13273E+04 -0.12477E+04 420 0.167E+02
DAV: 3 -0.349165635911E+03 -0.65511E+03 -0.64950E+03 348 0.123E+02
DAV: 4 -0.432815730680E+03 -0.83650E+02 -0.83276E+02 308 0.560E+01
DAV: 5 -0.434820654083E+03 -0.20049E+01 -0.20010E+01 332 0.875E+00 0.427E+01
DAV: 6 -0.388883001932E+03 0.45938E+02 -0.14755E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385349516676E+03 0.35335E+01 -0.12584E+01 348 0.782E+00 0.104E+01
DAV: 8 -0.383922389521E+03 0.14271E+01 -0.23224E+00 340 0.382E+00 0.419E+00
DAV: 9 -0.383358893940E+03 0.56350E+00 -0.76377E-01 332 0.206E+00 0.114E+00
DAV: 10 -0.383312878430E+03 0.46016E-01 -0.39327E-01 348 0.100E+00 0.741E-01
DAV: 11 -0.383283219882E+03 0.29659E-01 -0.22755E-02 316 0.461E-01 0.547E-01
DAV: 12 -0.383252158559E+03 0.31061E-01 -0.52300E-02 332 0.641E-01 0.342E-01
DAV: 13 -0.383243735914E+03 0.84226E-02 -0.27563E-02 316 0.480E-01 0.209E-01
DAV: 14 -0.383248190837E+03 -0.44549E-02 -0.94524E-03 324 0.276E-01 0.171E-01
DAV: 15 -0.383256249769E+03 -0.80589E-02 -0.38522E-03 300 0.228E-01 0.982E-02
DAV: 16 -0.383267572491E+03 -0.11323E-01 -0.40160E-03 308 0.219E-01 0.929E-02
DAV: 17 -0.383278233820E+03 -0.10661E-01 -0.28971E-03 324 0.181E-01 0.559E-02
DAV: 18 -0.383287155048E+03 -0.89212E-02 -0.93084E-04 300 0.999E-02 0.414E-02
DAV: 19 -0.383290678757E+03 -0.35237E-02 -0.37620E-04 340 0.545E-02 0.259E-02
DAV: 20 -0.383293509456E+03 -0.28307E-02 -0.15294E-04 300 0.312E-02 0.185E-02
DAV: 21 -0.383297074728E+03 -0.35653E-02 -0.25387E-04 308 0.334E-02 0.145E-02
DAV: 22 -0.383298264083E+03 -0.11894E-02 -0.86561E-05 300 0.207E-02 0.701E-03
DAV: 23 -0.383299053412E+03 -0.78933E-03 -0.36313E-05 268 0.142E-02 0.555E-03
DAV: 24 -0.383299400732E+03 -0.34732E-03 -0.94487E-06 228 0.738E-03 0.362E-03
DAV: 25 -0.383299692902E+03 -0.29217E-03 -0.16075E-05 236 0.746E-03 0.194E-03
DAV: 26 -0.383299778802E+03 -0.85900E-04 -0.33085E-06 228 0.435E-03 0.142E-03
DAV: 27 -0.383299833645E+03 -0.54843E-04 -0.20565E-06 212 0.348E-03 0.911E-04
DAV: 28 -0.383299867482E+03 -0.33837E-04 -0.13755E-06 220 0.238E-03 0.629E-04
DAV: 29 -0.383299879223E+03 -0.11742E-04 -0.55843E-07 228 0.150E-03 0.344E-04
DAV: 30 -0.383299886495E+03 -0.72722E-05 -0.32564E-07 220 0.106E-03
1 F= -.38329989E+03 E0= -.38330852E+03 d E =0.258894E-01