iterations/neb0_image07_iter44_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 0.374761430729E+03 0.37476E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.385752418753E+01 -0.37090E+03 -0.35792E+03 861 0.195E+02
DAV: 3 -0.963231973712E+02 -0.10018E+03 -0.99843E+02 672 0.117E+02
DAV: 4 -0.100745326222E+03 -0.44221E+01 -0.44111E+01 712 0.282E+01
DAV: 5 -0.100832667666E+03 -0.87341E-01 -0.87309E-01 728 0.355E+00 0.227E+01
DAV: 6 -0.922030160153E+02 0.86297E+01 -0.30558E+01 685 0.303E+01 0.119E+01
DAV: 7 -0.913298215961E+02 0.87319E+00 -0.16849E+00 720 0.619E+00 0.482E+00
DAV: 8 -0.909466804321E+02 0.38314E+00 -0.56391E-01 696 0.413E+00 0.164E+00
DAV: 9 -0.908609870835E+02 0.85693E-01 -0.13062E-01 712 0.159E+00 0.433E-01
DAV: 10 -0.908509092529E+02 0.10078E-01 -0.43994E-02 720 0.107E+00 0.305E-01
DAV: 11 -0.908559682853E+02 -0.50590E-02 -0.14564E-02 613 0.670E-01 0.180E-01
DAV: 12 -0.908576745708E+02 -0.17063E-02 -0.21890E-03 658 0.239E-01 0.131E-01
DAV: 13 -0.908622461758E+02 -0.45716E-02 -0.42483E-03 630 0.383E-01 0.747E-02
DAV: 14 -0.908637758924E+02 -0.15297E-02 -0.52880E-04 712 0.163E-01 0.464E-02
DAV: 15 -0.908671626974E+02 -0.33868E-02 -0.82162E-04 660 0.162E-01 0.322E-02
DAV: 16 -0.908680891422E+02 -0.92644E-03 -0.91769E-05 685 0.627E-02 0.234E-02
DAV: 17 -0.908689096981E+02 -0.82056E-03 -0.14858E-04 687 0.737E-02 0.104E-02
DAV: 18 -0.908694069062E+02 -0.49721E-03 -0.55222E-05 677 0.319E-02 0.109E-02
DAV: 19 -0.908695008282E+02 -0.93922E-04 -0.63983E-06 504 0.149E-02 0.728E-03
DAV: 20 -0.908695727502E+02 -0.71922E-04 -0.21785E-05 470 0.258E-02 0.433E-03
DAV: 21 -0.908695814322E+02 -0.86821E-05 -0.22828E-06 528 0.107E-02
1 F= -.90869581E+02 E0= -.90875930E+02 d E =0.190450E-01