./iterations/neb0_image06_iter11_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 0.360970867661E+03 0.36097E+03 -0.14175E+04 624 0.799E+02
DAV: 2 0.454642078867E+01 -0.35642E+03 -0.34337E+03 877 0.192E+02
DAV: 3 -0.926308622329E+02 -0.97177E+02 -0.96622E+02 688 0.114E+02
DAV: 4 -0.972558981054E+02 -0.46250E+01 -0.46061E+01 712 0.279E+01
DAV: 5 -0.973546819956E+02 -0.98784E-01 -0.98720E-01 720 0.362E+00 0.215E+01
DAV: 6 -0.888492963790E+02 0.85054E+01 -0.32186E+01 696 0.316E+01 0.112E+01
DAV: 7 -0.881362088598E+02 0.71309E+00 -0.17001E+00 728 0.737E+00 0.490E+00
DAV: 8 -0.877615214339E+02 0.37469E+00 -0.68957E-01 720 0.464E+00 0.178E+00
DAV: 9 -0.876697099484E+02 0.91811E-01 -0.16458E-01 781 0.211E+00 0.569E-01
DAV: 10 -0.876593491260E+02 0.10361E-01 -0.19283E-02 800 0.822E-01 0.299E-01
DAV: 11 -0.876581437615E+02 0.12054E-02 -0.12158E-02 712 0.655E-01 0.180E-01
DAV: 12 -0.876608647111E+02 -0.27209E-02 -0.38817E-03 669 0.403E-01 0.102E-01
DAV: 13 -0.876647079477E+02 -0.38432E-02 -0.20070E-03 622 0.247E-01 0.865E-02
DAV: 14 -0.876684326484E+02 -0.37247E-02 -0.86039E-04 645 0.167E-01 0.380E-02
DAV: 15 -0.876707568448E+02 -0.23242E-02 -0.45335E-04 656 0.119E-01 0.333E-02
DAV: 16 -0.876720463140E+02 -0.12895E-02 -0.16053E-04 656 0.851E-02 0.232E-02
DAV: 17 -0.876731146050E+02 -0.10683E-02 -0.24345E-04 722 0.953E-02 0.230E-02
DAV: 18 -0.876734133334E+02 -0.29873E-03 -0.71857E-05 749 0.608E-02 0.130E-02
DAV: 19 -0.876735715933E+02 -0.15826E-03 -0.41623E-05 661 0.363E-02 0.641E-03
DAV: 20 -0.876737314622E+02 -0.15987E-03 -0.15265E-05 434 0.186E-02 0.397E-03
DAV: 21 -0.876737817266E+02 -0.50264E-04 -0.81429E-06 469 0.127E-02 0.281E-03
DAV: 22 -0.876737918984E+02 -0.10172E-04 -0.31251E-06 488 0.102E-02 0.177E-03
DAV: 23 -0.876738036519E+02 -0.11753E-04 -0.21149E-06 409 0.589E-03 0.158E-03
DAV: 24 -0.876738049161E+02 -0.12643E-05 -0.54497E-07 498 0.335E-03
1 F= -.87673805E+02 E0= -.87677770E+02 d E =0.118947E-01