iterations/neb0_image05_iter238_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 0.367173091682E+03 0.36717E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.369684340151E+01 -0.36348E+03 -0.34868E+03 845 0.195E+02
DAV: 3 -0.955068578254E+02 -0.99204E+02 -0.98856E+02 680 0.116E+02
DAV: 4 -0.100050240481E+03 -0.45434E+01 -0.45319E+01 696 0.282E+01
DAV: 5 -0.100139432176E+03 -0.89192E-01 -0.89148E-01 728 0.353E+00 0.221E+01
DAV: 6 -0.915867069005E+02 0.85527E+01 -0.31059E+01 712 0.300E+01 0.116E+01
DAV: 7 -0.907761813998E+02 0.81053E+00 -0.17503E+00 728 0.626E+00 0.482E+00
DAV: 8 -0.904012544627E+02 0.37493E+00 -0.54804E-01 720 0.427E+00 0.166E+00
DAV: 9 -0.903165668808E+02 0.84688E-01 -0.13039E-01 720 0.168E+00 0.430E-01
DAV: 10 -0.903098716041E+02 0.66953E-02 -0.44100E-02 728 0.119E+00 0.314E-01
DAV: 11 -0.903135298252E+02 -0.36582E-02 -0.79683E-03 608 0.608E-01 0.120E-01
DAV: 12 -0.903159036225E+02 -0.23738E-02 -0.60484E-03 613 0.416E-01 0.128E-01
DAV: 13 -0.903184177633E+02 -0.25141E-02 -0.18239E-03 866 0.322E-01 0.827E-02
DAV: 14 -0.903214750104E+02 -0.30572E-02 -0.13627E-03 639 0.242E-01 0.858E-02
DAV: 15 -0.903217338398E+02 -0.25883E-03 -0.34507E-04 736 0.101E-01 0.806E-02
DAV: 16 -0.903217472122E+02 -0.13372E-04 -0.12078E-05 496 0.182E-02 0.792E-02
DAV: 17 -0.903214513885E+02 0.29582E-03 -0.23958E-05 552 0.434E-02 0.765E-02
DAV: 18 -0.903214408524E+02 0.10536E-04 -0.11856E-03 638 0.325E-01 0.126E-01
DAV: 19 -0.903245977158E+02 -0.31569E-02 -0.21747E-03 655 0.316E-01 0.181E-01
DAV: 20 -0.903259257860E+02 -0.13281E-02 -0.73888E-04 720 0.333E-01 0.210E-01
DAV: 21 -0.903256322181E+02 0.29357E-03 -0.10473E-03 668 0.326E-01 0.144E-01
DAV: 22 -0.903257257564E+02 -0.93538E-04 -0.12586E-03 688 0.323E-01 0.110E-01
DAV: 23 -0.903257118457E+02 0.13911E-04 -0.15476E-03 856 0.361E-01 0.144E-01
DAV: 24 -0.903257036750E+02 0.81707E-05 -0.64586E-04 693 0.133E-01 0.166E-01
DAV: 25 -0.903256112330E+02 0.92442E-04 -0.14482E-05 512 0.278E-02 0.158E-01
DAV: 26 -0.903254871377E+02 0.12410E-03 -0.59896E-05 728 0.443E-02 0.142E-01
DAV: 27 -0.903241333323E+02 0.13538E-02 -0.94796E-04 696 0.422E-01 0.909E-02
DAV: 28 -0.903242095028E+02 -0.76170E-04 -0.71861E-04 696 0.112E-01 0.862E-02
DAV: 29 -0.903243952086E+02 -0.18571E-03 -0.59338E-05 661 0.121E-01 0.887E-02
DAV: 30 -0.903254234062E+02 -0.10282E-02 -0.56507E-04 712 0.273E-01 0.140E-01
DAV: 31 -0.903264464400E+02 -0.10230E-02 -0.94532E-04 720 0.309E-01 0.193E-01
DAV: 32 -0.903263619665E+02 0.84474E-04 -0.43734E-04 682 0.141E-01 0.168E-01
DAV: 33 -0.903263913450E+02 -0.29379E-04 -0.31540E-05 680 0.274E-02 0.174E-01
DAV: 34 -0.903264765137E+02 -0.85169E-04 -0.28826E-06 464 0.156E-02 0.176E-01
DAV: 35 -0.903277616710E+02 -0.12852E-02 -0.20757E-03 760 0.915E-01 0.213E-01
DAV: 36 -0.903290116661E+02 -0.12500E-02 -0.66247E-03 744 0.464E-01 0.189E-01
DAV: 37 -0.903308331048E+02 -0.18214E-02 -0.93412E-04 856 0.376E-01 0.230E-01
DAV: 38 -0.903288087366E+02 0.20244E-02 -0.15253E-03 778 0.418E-01 0.151E-01
DAV: 39 -0.903278962686E+02 0.91247E-03 -0.21773E-03 832 0.441E-01 0.116E-01
DAV: 40 -0.903273102048E+02 0.58606E-03 -0.31245E-03 896 0.621E-01 0.105E-01
DAV: 41 -0.903273386837E+02 -0.28479E-04 -0.21456E-03 634 0.250E-01 0.129E-01
DAV: 42 -0.903271939767E+02 0.14471E-03 -0.72809E-05 736 0.584E-02 0.112E-01
DAV: 43 -0.903271227324E+02 0.71244E-04 -0.43643E-05 616 0.402E-02 0.976E-02
DAV: 44 -0.903269846136E+02 0.13812E-03 -0.21058E-04 634 0.823E-02 0.621E-02
DAV: 45 -0.903269027507E+02 0.81863E-04 -0.39775E-05 640 0.404E-02 0.638E-02
DAV: 46 -0.903267977314E+02 0.10502E-03 -0.10707E-05 536 0.444E-02 0.683E-02
DAV: 47 -0.903258538815E+02 0.94385E-03 -0.31573E-04 824 0.305E-01 0.913E-02
DAV: 48 -0.903256831013E+02 0.17078E-03 -0.59591E-04 720 0.119E-01 0.808E-02
DAV: 49 -0.903255029063E+02 0.18020E-03 -0.16085E-05 600 0.572E-02 0.737E-02
DAV: 50 -0.903254913159E+02 0.11590E-04 -0.25617E-05 576 0.266E-02 0.741E-02
DAV: 51 -0.903254450070E+02 0.46309E-04 -0.29382E-06 480 0.168E-02 0.712E-02
DAV: 52 -0.903254417473E+02 0.32597E-05 -0.25579E-06 360 0.725E-03
1 F= -.90325442E+02 E0= -.90334352E+02 d E =0.267317E-01