iterations/neb0_image02_iter108_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 0.364813579880E+03 0.36481E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.401736234249E+01 -0.36080E+03 -0.34616E+03 834 0.194E+02
DAV: 3 -0.956038795198E+02 -0.99621E+02 -0.99290E+02 680 0.116E+02
DAV: 4 -0.100187263279E+03 -0.45834E+01 -0.45725E+01 704 0.282E+01
DAV: 5 -0.100276710030E+03 -0.89447E-01 -0.89406E-01 728 0.353E+00 0.222E+01
DAV: 6 -0.916682295813E+02 0.86085E+01 -0.30924E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908477146106E+02 0.82051E+00 -0.18240E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904622761275E+02 0.38544E+00 -0.55943E-01 688 0.428E+00 0.169E+00
DAV: 9 -0.903729512782E+02 0.89325E-01 -0.13805E-01 704 0.165E+00 0.433E-01
DAV: 10 -0.903666912144E+02 0.62601E-02 -0.48474E-02 696 0.129E+00 0.325E-01
DAV: 11 -0.903703516040E+02 -0.36604E-02 -0.73899E-03 608 0.497E-01 0.146E-01
DAV: 12 -0.903737578578E+02 -0.34063E-02 -0.74540E-03 624 0.474E-01 0.134E-01
DAV: 13 -0.903764342403E+02 -0.26764E-02 -0.16098E-03 968 0.337E-01 0.807E-02
DAV: 14 -0.903795008198E+02 -0.30666E-02 -0.13756E-03 634 0.177E-01 0.584E-02
DAV: 15 -0.903817815458E+02 -0.22807E-02 -0.38901E-04 672 0.109E-01 0.446E-02
DAV: 16 -0.903831947433E+02 -0.14132E-02 -0.66240E-04 656 0.147E-01 0.318E-02
DAV: 17 -0.903840857866E+02 -0.89104E-03 -0.14970E-04 658 0.827E-02 0.216E-02
DAV: 18 -0.903842497494E+02 -0.16396E-03 -0.58176E-05 712 0.389E-02 0.989E-03
DAV: 19 -0.903844322393E+02 -0.18249E-03 -0.28615E-05 522 0.277E-02 0.369E-03
DAV: 20 -0.903844855279E+02 -0.53289E-04 -0.45798E-06 480 0.137E-02 0.404E-03
DAV: 21 -0.903845222533E+02 -0.36725E-04 -0.81763E-06 423 0.171E-02 0.597E-03
DAV: 22 -0.903845433912E+02 -0.21138E-04 -0.51891E-06 469 0.150E-02 0.320E-03
DAV: 23 -0.903845455333E+02 -0.21421E-05 -0.42408E-06 544 0.114E-02
1 F= -.90384546E+02 E0= -.90390094E+02 d E =0.166443E-01