iterations/neb0_image02_iter232_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 0.365691233815E+03 0.36569E+03 -0.14292E+04 624 0.799E+02
DAV: 2 0.276386700271E+00 -0.36541E+03 -0.35494E+03 877 0.195E+02
DAV: 3 -0.956420515803E+02 -0.95918E+02 -0.95589E+02 629 0.115E+02
DAV: 4 -0.100196827007E+03 -0.45548E+01 -0.45440E+01 712 0.294E+01
DAV: 5 -0.100287571336E+03 -0.90744E-01 -0.90711E-01 736 0.373E+00 0.221E+01
DAV: 6 -0.916633363196E+02 0.86242E+01 -0.30928E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908507809541E+02 0.81256E+00 -0.18124E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904705037633E+02 0.38028E+00 -0.55885E-01 696 0.433E+00 0.169E+00
DAV: 9 -0.903854372387E+02 0.85067E-01 -0.13427E-01 720 0.166E+00 0.429E-01
DAV: 10 -0.903805709922E+02 0.48662E-02 -0.47759E-02 704 0.122E+00 0.328E-01
DAV: 11 -0.903843080721E+02 -0.37371E-02 -0.76040E-03 632 0.613E-01 0.115E-01
DAV: 12 -0.903870482894E+02 -0.27402E-02 -0.57455E-03 632 0.374E-01 0.125E-01
DAV: 13 -0.903900318771E+02 -0.29836E-02 -0.16647E-03 853 0.307E-01 0.830E-02
DAV: 14 -0.903930614374E+02 -0.30296E-02 -0.11236E-03 623 0.150E-01 0.624E-02
DAV: 15 -0.903950959914E+02 -0.20346E-02 -0.37224E-04 680 0.112E-01 0.413E-02
DAV: 16 -0.903964174189E+02 -0.13214E-02 -0.67852E-04 688 0.145E-01 0.354E-02
DAV: 17 -0.903970093406E+02 -0.59192E-03 -0.15168E-04 864 0.821E-02 0.173E-02
DAV: 18 -0.903971710285E+02 -0.16169E-03 -0.40750E-05 693 0.341E-02 0.744E-03
DAV: 19 -0.903974105431E+02 -0.23951E-03 -0.28115E-05 550 0.241E-02 0.431E-03
DAV: 20 -0.903974656649E+02 -0.55122E-04 -0.38146E-06 504 0.110E-02 0.242E-03
DAV: 21 -0.903975193773E+02 -0.53712E-04 -0.84791E-06 420 0.125E-02 0.194E-03
DAV: 22 -0.903975262516E+02 -0.68743E-05 -0.15648E-06 504 0.582E-03
1 F= -.90397526E+02 E0= -.90405002E+02 d E =0.224258E-01