./iterations/neb0_image06_iter105_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 0.375478875275E+03 0.37548E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.377208050663E+01 -0.37171E+03 -0.35975E+03 877 0.195E+02
DAV: 3 -0.954811596819E+02 -0.99253E+02 -0.98927E+02 637 0.117E+02
DAV: 4 -0.100241771448E+03 -0.47606E+01 -0.47494E+01 704 0.298E+01
DAV: 5 -0.100339643990E+03 -0.97873E-01 -0.97824E-01 728 0.381E+00 0.226E+01
DAV: 6 -0.917466314426E+02 0.85930E+01 -0.30755E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.909181574688E+02 0.82847E+00 -0.17105E+00 728 0.627E+00 0.480E+00
DAV: 8 -0.905388826406E+02 0.37927E+00 -0.52732E-01 720 0.405E+00 0.165E+00
DAV: 9 -0.904490645791E+02 0.89818E-01 -0.13036E-01 720 0.164E+00 0.421E-01
DAV: 10 -0.904394337079E+02 0.96309E-02 -0.44777E-02 744 0.110E+00 0.306E-01
DAV: 11 -0.904440271193E+02 -0.45934E-02 -0.13796E-02 613 0.653E-01 0.171E-01
DAV: 12 -0.904455961119E+02 -0.15690E-02 -0.22779E-03 666 0.272E-01 0.117E-01
DAV: 13 -0.904503581980E+02 -0.47621E-02 -0.38456E-03 703 0.424E-01 0.724E-02
DAV: 14 -0.904519615937E+02 -0.16034E-02 -0.67843E-04 720 0.162E-01 0.532E-02
DAV: 15 -0.904546455396E+02 -0.26839E-02 -0.74049E-04 629 0.151E-01 0.377E-02
DAV: 16 -0.904562259265E+02 -0.15804E-02 -0.24125E-04 661 0.759E-02 0.314E-02
DAV: 17 -0.904569170938E+02 -0.69117E-03 -0.12545E-04 829 0.817E-02 0.125E-02
DAV: 18 -0.904575840501E+02 -0.66696E-03 -0.11900E-04 628 0.594E-02 0.120E-02
DAV: 19 -0.904576990760E+02 -0.11503E-03 -0.10204E-05 496 0.214E-02 0.108E-02
DAV: 20 -0.904577700482E+02 -0.70972E-04 -0.19144E-05 498 0.275E-02 0.839E-03
DAV: 21 -0.904578369781E+02 -0.66930E-04 -0.10079E-05 418 0.178E-02 0.594E-03
DAV: 22 -0.904578549394E+02 -0.17961E-04 -0.67820E-06 504 0.148E-02 0.501E-03
DAV: 23 -0.904578613983E+02 -0.64588E-05 -0.26301E-06 421 0.138E-02
1 F= -.90457861E+02 E0= -.90462871E+02 d E =0.150280E-01