./iterations/neb0_image08_iter12_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 0.163377254485E+04 0.16338E+04 -0.42289E+04 306 0.696E+02
DAV: 2 0.306441224067E+03 -0.13273E+04 -0.12474E+04 420 0.167E+02
DAV: 3 -0.349176326590E+03 -0.65562E+03 -0.65067E+03 348 0.124E+02
DAV: 4 -0.432713784904E+03 -0.83537E+02 -0.83172E+02 308 0.561E+01
DAV: 5 -0.434725138112E+03 -0.20114E+01 -0.20073E+01 332 0.875E+00 0.427E+01
DAV: 6 -0.388485879354E+03 0.46239E+02 -0.14834E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.384933553615E+03 0.35523E+01 -0.12785E+01 348 0.791E+00 0.104E+01
DAV: 8 -0.383520146306E+03 0.14134E+01 -0.31887E+00 332 0.399E+00 0.430E+00
DAV: 9 -0.382943264263E+03 0.57688E+00 -0.69125E-01 332 0.211E+00 0.981E-01
DAV: 10 -0.382884930309E+03 0.58334E-01 -0.15681E-01 348 0.994E-01 0.769E-01
DAV: 11 -0.382866496395E+03 0.18434E-01 -0.75370E-02 340 0.474E-01 0.566E-01
DAV: 12 -0.382838383968E+03 0.28112E-01 -0.21874E-02 324 0.477E-01 0.277E-01
DAV: 13 -0.382825935288E+03 0.12449E-01 -0.20505E-02 316 0.488E-01 0.222E-01
DAV: 14 -0.382835763362E+03 -0.98281E-02 -0.29047E-02 308 0.519E-01 0.232E-01
DAV: 15 -0.382838966274E+03 -0.32029E-02 -0.67526E-03 308 0.247E-01 0.176E-01
DAV: 16 -0.382846381812E+03 -0.74155E-02 -0.35559E-03 292 0.152E-01 0.773E-02
DAV: 17 -0.382859289244E+03 -0.12907E-01 -0.32087E-03 300 0.190E-01 0.868E-02
DAV: 18 -0.382865933517E+03 -0.66443E-02 -0.15956E-03 324 0.116E-01 0.472E-02
DAV: 19 -0.382870223573E+03 -0.42901E-02 -0.55508E-04 324 0.648E-02 0.310E-02
DAV: 20 -0.382876273336E+03 -0.60498E-02 -0.30669E-04 300 0.400E-02 0.161E-02
DAV: 21 -0.382879888345E+03 -0.36150E-02 -0.21617E-04 308 0.289E-02 0.125E-02
DAV: 22 -0.382881574041E+03 -0.16857E-02 -0.79975E-05 284 0.184E-02 0.861E-03
DAV: 23 -0.382882601587E+03 -0.10275E-02 -0.43883E-05 292 0.130E-02 0.562E-03
DAV: 24 -0.382883087709E+03 -0.48612E-03 -0.21048E-05 244 0.101E-02 0.346E-03
DAV: 25 -0.382883274797E+03 -0.18709E-03 -0.96821E-06 228 0.807E-03 0.330E-03
DAV: 26 -0.382883358659E+03 -0.83862E-04 -0.31234E-06 228 0.421E-03 0.279E-03
DAV: 27 -0.382883432884E+03 -0.74224E-04 -0.36846E-06 212 0.495E-03 0.144E-03
DAV: 28 -0.382883458169E+03 -0.25285E-04 -0.12816E-06 228 0.267E-03 0.122E-03
DAV: 29 -0.382883480317E+03 -0.22149E-04 -0.95809E-07 212 0.232E-03 0.931E-04
DAV: 30 -0.382883489555E+03 -0.92377E-05 -0.43878E-07 228 0.140E-03
1 F= -.38288349E+03 E0= -.38289199E+03 d E =0.254991E-01