./iterations/neb0_image07_iter45_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 0.374367561923E+03 0.37437E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.383230453714E+01 -0.37054E+03 -0.35759E+03 861 0.195E+02
DAV: 3 -0.963100158466E+02 -0.10014E+03 -0.99804E+02 672 0.117E+02
DAV: 4 -0.100738346743E+03 -0.44283E+01 -0.44174E+01 712 0.282E+01
DAV: 5 -0.100826037894E+03 -0.87691E-01 -0.87657E-01 728 0.356E+00 0.227E+01
DAV: 6 -0.922130734317E+02 0.86130E+01 -0.30562E+01 677 0.302E+01 0.119E+01
DAV: 7 -0.913430213356E+02 0.87005E+00 -0.16772E+00 728 0.619E+00 0.482E+00
DAV: 8 -0.909591010192E+02 0.38392E+00 -0.56774E-01 696 0.415E+00 0.164E+00
DAV: 9 -0.908732752578E+02 0.85826E-01 -0.13019E-01 720 0.158E+00 0.434E-01
DAV: 10 -0.908629965225E+02 0.10279E-01 -0.44927E-02 736 0.107E+00 0.307E-01
DAV: 11 -0.908679869359E+02 -0.49904E-02 -0.14486E-02 610 0.659E-01 0.176E-01
DAV: 12 -0.908698367340E+02 -0.18498E-02 -0.22223E-03 656 0.237E-01 0.131E-01
DAV: 13 -0.908743626890E+02 -0.45260E-02 -0.40522E-03 633 0.365E-01 0.710E-02
DAV: 14 -0.908759849986E+02 -0.16223E-02 -0.47546E-04 712 0.155E-01 0.432E-02
DAV: 15 -0.908794204201E+02 -0.34354E-02 -0.78249E-04 644 0.152E-01 0.317E-02
DAV: 16 -0.908801976546E+02 -0.77723E-03 -0.74987E-05 688 0.605E-02 0.219E-02
DAV: 17 -0.908810141031E+02 -0.81645E-03 -0.15141E-04 684 0.745E-02 0.107E-02
DAV: 18 -0.908814999136E+02 -0.48581E-03 -0.50788E-05 669 0.318E-02 0.111E-02
DAV: 19 -0.908816024299E+02 -0.10252E-03 -0.81857E-06 504 0.159E-02 0.706E-03
DAV: 20 -0.908816711419E+02 -0.68712E-04 -0.22195E-05 464 0.260E-02 0.451E-03
DAV: 21 -0.908816818627E+02 -0.10721E-04 -0.23644E-06 520 0.109E-02 0.341E-03
DAV: 22 -0.908816938724E+02 -0.12010E-04 -0.27499E-06 389 0.928E-03 0.168E-03
DAV: 23 -0.908816953429E+02 -0.14705E-05 -0.39839E-07 528 0.499E-03
1 F= -.90881695E+02 E0= -.90887940E+02 d E =0.187334E-01