iterations/neb0_image05_iter30_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.368235283772E+03 0.36824E+03 -0.14291E+04 632 0.799E+02
DAV: 2 0.445693976120E+01 -0.36378E+03 -0.35266E+03 874 0.194E+02
DAV: 3 -0.930390814394E+02 -0.97496E+02 -0.97076E+02 632 0.115E+02
DAV: 4 -0.979179181637E+02 -0.48788E+01 -0.48632E+01 712 0.302E+01
DAV: 5 -0.980209835932E+02 -0.10307E+00 -0.10302E+00 720 0.393E+00 0.218E+01
DAV: 6 -0.896036319409E+02 0.84174E+01 -0.30493E+01 701 0.300E+01 0.113E+01
DAV: 7 -0.888226597766E+02 0.78097E+00 -0.16887E+00 728 0.665E+00 0.476E+00
DAV: 8 -0.884517841755E+02 0.37088E+00 -0.61877E-01 712 0.448E+00 0.170E+00
DAV: 9 -0.883678411126E+02 0.83943E-01 -0.11930E-01 720 0.208E+00 0.589E-01
DAV: 10 -0.883540213964E+02 0.13820E-01 -0.33075E-02 728 0.942E-01 0.361E-01
DAV: 11 -0.883525717529E+02 0.14496E-02 -0.12926E-02 720 0.734E-01 0.204E-01
DAV: 12 -0.883552052254E+02 -0.26335E-02 -0.54426E-03 596 0.377E-01 0.142E-01
DAV: 13 -0.883588275357E+02 -0.36223E-02 -0.21001E-03 657 0.282E-01 0.805E-02
DAV: 14 -0.883632151145E+02 -0.43876E-02 -0.22009E-03 653 0.269E-01 0.995E-02
DAV: 15 -0.883651390497E+02 -0.19239E-02 -0.13271E-03 944 0.305E-01 0.457E-02
DAV: 16 -0.883665256403E+02 -0.13866E-02 -0.40820E-04 621 0.119E-01 0.301E-02
DAV: 17 -0.883678420279E+02 -0.13164E-02 -0.21662E-04 770 0.721E-02 0.190E-02
DAV: 18 -0.883686358327E+02 -0.79380E-03 -0.93560E-05 746 0.614E-02 0.908E-03
DAV: 19 -0.883690398038E+02 -0.40397E-03 -0.38873E-05 591 0.333E-02 0.769E-03
DAV: 20 -0.883692281319E+02 -0.18833E-03 -0.23707E-05 549 0.231E-02 0.554E-03
DAV: 21 -0.883692978116E+02 -0.69680E-04 -0.95464E-06 453 0.183E-02 0.261E-03
DAV: 22 -0.883693326164E+02 -0.34805E-04 -0.58915E-06 423 0.105E-02 0.210E-03
DAV: 23 -0.883693392007E+02 -0.65843E-05 -0.12165E-06 488 0.442E-03
1 F= -.88369339E+02 E0= -.88378295E+02 d E =0.268672E-01