./iterations/neb0_image07_iter276_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 0.375088820994E+03 0.37509E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.466814421646E+01 -0.37042E+03 -0.35922E+03 866 0.195E+02
DAV: 3 -0.964546623243E+02 -0.10112E+03 -0.10081E+03 664 0.117E+02
DAV: 4 -0.101207771414E+03 -0.47531E+01 -0.47413E+01 704 0.295E+01
DAV: 5 -0.101301227437E+03 -0.93456E-01 -0.93411E-01 728 0.374E+00 0.227E+01
DAV: 6 -0.926319099342E+02 0.86693E+01 -0.30994E+01 720 0.299E+01 0.119E+01
DAV: 7 -0.917592617916E+02 0.87265E+00 -0.17120E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.913804490059E+02 0.37881E+00 -0.55163E-01 736 0.401E+00 0.161E+00
DAV: 9 -0.912983086364E+02 0.82140E-01 -0.12707E-01 728 0.152E+00 0.422E-01
DAV: 10 -0.912891006778E+02 0.92080E-02 -0.43934E-02 749 0.105E+00 0.298E-01
DAV: 11 -0.912940353652E+02 -0.49347E-02 -0.13043E-02 613 0.585E-01 0.152E-01
DAV: 12 -0.912971762555E+02 -0.31409E-02 -0.30383E-03 609 0.235E-01 0.105E-01
DAV: 13 -0.913011086790E+02 -0.39324E-02 -0.21614E-03 638 0.242E-01 0.523E-02
DAV: 14 -0.913046942434E+02 -0.35856E-02 -0.96103E-04 653 0.185E-01 0.333E-02
DAV: 15 -0.913057627922E+02 -0.10685E-02 -0.18417E-04 680 0.798E-02 0.225E-02
DAV: 16 -0.913067156922E+02 -0.95290E-03 -0.20106E-04 693 0.897E-02 0.148E-02
DAV: 17 -0.913072652697E+02 -0.54958E-03 -0.52256E-05 658 0.361E-02 0.136E-02
DAV: 18 -0.913074210655E+02 -0.15580E-03 -0.16347E-05 488 0.233E-02 0.697E-03
DAV: 19 -0.913075933785E+02 -0.17231E-03 -0.34627E-05 534 0.275E-02 0.464E-03
DAV: 20 -0.913076095009E+02 -0.16122E-04 -0.23368E-06 520 0.111E-02 0.293E-03
DAV: 21 -0.913076335928E+02 -0.24092E-04 -0.59209E-06 400 0.143E-02 0.212E-03
DAV: 22 -0.913076373921E+02 -0.37993E-05 -0.10151E-06 496 0.672E-03
1 F= -.91307637E+02 E0= -.91312337E+02 d E =0.141002E-01