./iterations/neb0_image03_iter101_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 0.367008328582E+03 0.36701E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.303449442322E+01 -0.36397E+03 -0.35063E+03 845 0.195E+02
DAV: 3 -0.956174886998E+02 -0.98652E+02 -0.98334E+02 664 0.116E+02
DAV: 4 -0.100164887164E+03 -0.45474E+01 -0.45375E+01 712 0.287E+01
DAV: 5 -0.100253727270E+03 -0.88840E-01 -0.88803E-01 736 0.361E+00 0.222E+01
DAV: 6 -0.916686263906E+02 0.85851E+01 -0.30642E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.908216252467E+02 0.84700E+00 -0.18226E+00 712 0.641E+00 0.483E+00
DAV: 8 -0.904186208683E+02 0.40300E+00 -0.56878E-01 688 0.437E+00 0.167E+00
DAV: 9 -0.903241537971E+02 0.94467E-01 -0.13148E-01 696 0.188E+00 0.465E-01
DAV: 10 -0.903154202092E+02 0.87336E-02 -0.36191E-02 728 0.956E-01 0.335E-01
DAV: 11 -0.903178097030E+02 -0.23895E-02 -0.79903E-03 712 0.631E-01 0.168E-01
DAV: 12 -0.903194995078E+02 -0.16898E-02 -0.30326E-03 634 0.387E-01 0.112E-01
DAV: 13 -0.903238570883E+02 -0.43576E-02 -0.29121E-03 621 0.268E-01 0.849E-02
DAV: 14 -0.903282527141E+02 -0.43956E-02 -0.11074E-03 653 0.165E-01 0.405E-02
DAV: 15 -0.903302849073E+02 -0.20322E-02 -0.24078E-04 800 0.913E-02 0.241E-02
DAV: 16 -0.903321784070E+02 -0.18935E-02 -0.17657E-04 661 0.609E-02 0.142E-02
DAV: 17 -0.903332355596E+02 -0.10572E-02 -0.92384E-05 608 0.416E-02 0.809E-03
DAV: 18 -0.903335695773E+02 -0.33402E-03 -0.44718E-05 600 0.291E-02 0.595E-03
DAV: 19 -0.903336196112E+02 -0.50034E-04 -0.34081E-06 544 0.173E-02 0.365E-03
DAV: 20 -0.903337218415E+02 -0.10223E-03 -0.22103E-05 472 0.244E-02 0.589E-03
DAV: 21 -0.903337350722E+02 -0.13231E-04 -0.31952E-06 488 0.171E-02 0.292E-03
DAV: 22 -0.903337427264E+02 -0.76542E-05 -0.46207E-06 440 0.120E-02
1 F= -.90333743E+02 E0= -.90342382E+02 d E =0.259183E-01