iterations/neb0_image05_iter115_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 0.371950271530E+03 0.37195E+03 -0.14296E+04 632 0.799E+02
DAV: 2 0.416681507518E+01 -0.36778E+03 -0.35562E+03 877 0.194E+02
DAV: 3 -0.940778320082E+02 -0.98245E+02 -0.97874E+02 637 0.116E+02
DAV: 4 -0.987827849212E+02 -0.47050E+01 -0.46924E+01 704 0.297E+01
DAV: 5 -0.988839493755E+02 -0.10116E+00 -0.10111E+00 728 0.386E+00 0.218E+01
DAV: 6 -0.905566900775E+02 0.83273E+01 -0.28732E+01 677 0.288E+01 0.112E+01
DAV: 7 -0.896877693893E+02 0.86892E+00 -0.17834E+00 736 0.666E+00 0.469E+00
DAV: 8 -0.892980621496E+02 0.38971E+00 -0.62221E-01 712 0.447E+00 0.156E+00
DAV: 9 -0.892158387367E+02 0.82223E-01 -0.12513E-01 728 0.165E+00 0.445E-01
DAV: 10 -0.892044806819E+02 0.11358E-01 -0.51566E-02 733 0.122E+00 0.344E-01
DAV: 11 -0.892063626944E+02 -0.18820E-02 -0.11977E-02 656 0.627E-01 0.122E-01
DAV: 12 -0.892081098082E+02 -0.17471E-02 -0.33994E-03 671 0.310E-01 0.125E-01
DAV: 13 -0.892137019984E+02 -0.55922E-02 -0.26863E-03 682 0.357E-01 0.705E-02
DAV: 14 -0.892162670307E+02 -0.25650E-02 -0.85440E-04 680 0.144E-01 0.546E-02
DAV: 15 -0.892191798119E+02 -0.29128E-02 -0.85240E-04 650 0.172E-01 0.325E-02
DAV: 16 -0.892203030377E+02 -0.11232E-02 -0.12725E-04 696 0.658E-02 0.237E-02
DAV: 17 -0.892213744344E+02 -0.10714E-02 -0.17303E-04 660 0.652E-02 0.105E-02
DAV: 18 -0.892218311560E+02 -0.45672E-03 -0.52033E-05 685 0.361E-02 0.758E-03
DAV: 19 -0.892219363350E+02 -0.10518E-03 -0.80948E-06 496 0.170E-02 0.422E-03
DAV: 20 -0.892220415789E+02 -0.10524E-03 -0.23878E-05 487 0.255E-02 0.666E-03
DAV: 21 -0.892220691311E+02 -0.27552E-04 -0.45135E-06 480 0.134E-02 0.374E-03
DAV: 22 -0.892220758566E+02 -0.67255E-05 -0.53480E-06 488 0.124E-02
1 F= -.89222076E+02 E0= -.89226070E+02 d E =0.119814E-01