./iterations/neb0_image05_iter153_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 0.363194635496E+03 0.36319E+03 -0.14331E+04 640 0.799E+02
DAV: 2 0.943738749695E+00 -0.36225E+03 -0.34967E+03 869 0.192E+02
DAV: 3 -0.951760788167E+02 -0.96120E+02 -0.95782E+02 661 0.115E+02
DAV: 4 -0.995430909872E+02 -0.43670E+01 -0.43570E+01 728 0.279E+01
DAV: 5 -0.996302502864E+02 -0.87159E-01 -0.87123E-01 736 0.353E+00 0.218E+01
DAV: 6 -0.912527230967E+02 0.83775E+01 -0.30329E+01 680 0.297E+01 0.114E+01
DAV: 7 -0.904868082451E+02 0.76591E+00 -0.17893E+00 736 0.629E+00 0.477E+00
DAV: 8 -0.901158069876E+02 0.37100E+00 -0.52892E-01 712 0.414E+00 0.168E+00
DAV: 9 -0.900236055400E+02 0.92201E-01 -0.12925E-01 720 0.159E+00 0.426E-01
DAV: 10 -0.900150742613E+02 0.85313E-02 -0.51823E-02 712 0.125E+00 0.332E-01
DAV: 11 -0.900189527105E+02 -0.38784E-02 -0.85075E-03 624 0.611E-01 0.119E-01
DAV: 12 -0.900214853669E+02 -0.25327E-02 -0.62744E-03 610 0.386E-01 0.143E-01
DAV: 13 -0.900240341475E+02 -0.25488E-02 -0.21061E-03 847 0.348E-01 0.769E-02
DAV: 14 -0.900274199544E+02 -0.33858E-02 -0.12812E-03 634 0.156E-01 0.639E-02
DAV: 15 -0.900302601083E+02 -0.28402E-02 -0.41589E-04 696 0.108E-01 0.421E-02
DAV: 16 -0.900316132531E+02 -0.13531E-02 -0.57786E-04 685 0.129E-01 0.338E-02
DAV: 17 -0.900324245629E+02 -0.81131E-03 -0.23264E-04 863 0.103E-01 0.157E-02
DAV: 18 -0.900326177095E+02 -0.19315E-03 -0.51387E-05 688 0.362E-02 0.140E-02
DAV: 19 -0.900327652332E+02 -0.14752E-03 -0.16447E-05 495 0.266E-02 0.679E-03
DAV: 20 -0.900328484773E+02 -0.83244E-04 -0.26890E-05 592 0.283E-02 0.556E-03
DAV: 21 -0.900328886673E+02 -0.40190E-04 -0.64200E-06 455 0.195E-02 0.179E-03
DAV: 22 -0.900329019702E+02 -0.13303E-04 -0.46168E-06 464 0.101E-02 0.280E-03
DAV: 23 -0.900329039787E+02 -0.20085E-05 -0.59884E-07 496 0.521E-03
1 F= -.90032904E+02 E0= -.90040921E+02 d E =0.240501E-01