./iterations/neb0_image06_iter188_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 0.371716645441E+03 0.37172E+03 -0.14353E+04 640 0.799E+02
DAV: 2 0.447051239696E+01 -0.36725E+03 -0.35520E+03 861 0.193E+02
DAV: 3 -0.959975435918E+02 -0.10047E+03 -0.10013E+03 693 0.116E+02
DAV: 4 -0.100527150018E+03 -0.45296E+01 -0.45180E+01 720 0.279E+01
DAV: 5 -0.100616827168E+03 -0.89677E-01 -0.89632E-01 736 0.351E+00 0.227E+01
DAV: 6 -0.920383023105E+02 0.85785E+01 -0.30565E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.911966580629E+02 0.84164E+00 -0.17372E+00 720 0.624E+00 0.481E+00
DAV: 8 -0.908182512654E+02 0.37841E+00 -0.55169E-01 704 0.413E+00 0.165E+00
DAV: 9 -0.907302154388E+02 0.88036E-01 -0.12717E-01 720 0.157E+00 0.422E-01
DAV: 10 -0.907201720058E+02 0.10043E-01 -0.36959E-02 736 0.959E-01 0.285E-01
DAV: 11 -0.907243366662E+02 -0.41647E-02 -0.95851E-03 602 0.502E-01 0.145E-01
DAV: 12 -0.907271383054E+02 -0.28016E-02 -0.22656E-03 618 0.256E-01 0.822E-02
DAV: 13 -0.907310790111E+02 -0.39407E-02 -0.14661E-03 633 0.173E-01 0.606E-02
DAV: 14 -0.907346939952E+02 -0.36150E-02 -0.11329E-03 728 0.238E-01 0.435E-02
DAV: 15 -0.907362478409E+02 -0.15538E-02 -0.28334E-04 728 0.980E-02 0.401E-02
DAV: 16 -0.907375816884E+02 -0.13338E-02 -0.40634E-04 698 0.124E-01 0.185E-02
DAV: 17 -0.907383149921E+02 -0.73330E-03 -0.10846E-04 704 0.550E-02 0.148E-02
DAV: 18 -0.907385923999E+02 -0.27741E-03 -0.31595E-05 584 0.242E-02 0.852E-03
DAV: 19 -0.907387043213E+02 -0.11192E-03 -0.20080E-05 493 0.253E-02 0.277E-03
DAV: 20 -0.907387275968E+02 -0.23275E-04 -0.47256E-06 488 0.120E-02 0.283E-03
DAV: 21 -0.907387487708E+02 -0.21174E-04 -0.31238E-06 409 0.754E-03 0.255E-03
DAV: 22 -0.907387515285E+02 -0.27578E-05 -0.67136E-07 496 0.525E-03
1 F= -.90738752E+02 E0= -.90743421E+02 d E =0.140095E-01