iterations/neb0_image06_iter15_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 0.361280641889E+03 0.36128E+03 -0.14179E+04 624 0.799E+02
DAV: 2 0.392375687436E+01 -0.35736E+03 -0.34443E+03 877 0.193E+02
DAV: 3 -0.931184319432E+02 -0.97042E+02 -0.96520E+02 672 0.114E+02
DAV: 4 -0.978468660900E+02 -0.47284E+01 -0.47096E+01 712 0.284E+01
DAV: 5 -0.979500106341E+02 -0.10314E+00 -0.10310E+00 728 0.370E+00 0.214E+01
DAV: 6 -0.894898985357E+02 0.84601E+01 -0.32036E+01 677 0.313E+01 0.111E+01
DAV: 7 -0.887708386670E+02 0.71906E+00 -0.16851E+00 728 0.721E+00 0.485E+00
DAV: 8 -0.883988781004E+02 0.37196E+00 -0.68489E-01 704 0.461E+00 0.173E+00
DAV: 9 -0.883092579156E+02 0.89620E-01 -0.16469E-01 725 0.210E+00 0.570E-01
DAV: 10 -0.882989705614E+02 0.10287E-01 -0.19221E-02 725 0.778E-01 0.316E-01
DAV: 11 -0.882979335329E+02 0.10370E-02 -0.16977E-02 637 0.785E-01 0.190E-01
DAV: 12 -0.883002583095E+02 -0.23248E-02 -0.43846E-03 666 0.407E-01 0.112E-01
DAV: 13 -0.883041339747E+02 -0.38757E-02 -0.26703E-03 609 0.281E-01 0.977E-02
DAV: 14 -0.883076422869E+02 -0.35083E-02 -0.11516E-03 647 0.195E-01 0.592E-02
DAV: 15 -0.883103600538E+02 -0.27178E-02 -0.12748E-03 744 0.245E-01 0.532E-02
DAV: 16 -0.883114449888E+02 -0.10849E-02 -0.39801E-04 728 0.131E-01 0.442E-02
DAV: 17 -0.883122601099E+02 -0.81512E-03 -0.43573E-04 706 0.130E-01 0.264E-02
DAV: 18 -0.883129635587E+02 -0.70345E-03 -0.14006E-04 781 0.711E-02 0.110E-02
DAV: 19 -0.883133114819E+02 -0.34792E-03 -0.36791E-05 605 0.274E-02 0.730E-03
DAV: 20 -0.883134501463E+02 -0.13866E-03 -0.25311E-05 509 0.277E-02 0.482E-03
DAV: 21 -0.883135005338E+02 -0.50388E-04 -0.49952E-06 469 0.147E-02 0.249E-03
DAV: 22 -0.883135195890E+02 -0.19055E-04 -0.51080E-06 418 0.101E-02 0.165E-03
DAV: 23 -0.883135232929E+02 -0.37039E-05 -0.71035E-07 488 0.436E-03
1 F= -.88313523E+02 E0= -.88319330E+02 d E =0.174210E-01