./iterations/neb0_image02_iter45_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 0.368405789310E+03 0.36841E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.469865715580E+01 -0.36371E+03 -0.34891E+03 834 0.195E+02
DAV: 3 -0.956307620416E+02 -0.10033E+03 -0.99994E+02 680 0.117E+02
DAV: 4 -0.100160957466E+03 -0.45302E+01 -0.45204E+01 696 0.283E+01
DAV: 5 -0.100248507466E+03 -0.87550E-01 -0.87508E-01 736 0.355E+00 0.223E+01
DAV: 6 -0.916374146103E+02 0.86111E+01 -0.30805E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908039483712E+02 0.83347E+00 -0.18271E+00 704 0.635E+00 0.483E+00
DAV: 8 -0.904156547137E+02 0.38829E+00 -0.56052E-01 688 0.427E+00 0.169E+00
DAV: 9 -0.903251418069E+02 0.90513E-01 -0.14239E-01 696 0.168E+00 0.437E-01
DAV: 10 -0.903185444277E+02 0.65974E-02 -0.43365E-02 717 0.125E+00 0.314E-01
DAV: 11 -0.903221044578E+02 -0.35600E-02 -0.69272E-03 605 0.463E-01 0.155E-01
DAV: 12 -0.903253186357E+02 -0.32142E-02 -0.63498E-03 621 0.461E-01 0.120E-01
DAV: 13 -0.903284254310E+02 -0.31068E-02 -0.98302E-04 749 0.279E-01 0.791E-02
DAV: 14 -0.903315778431E+02 -0.31524E-02 -0.17468E-03 632 0.204E-01 0.595E-02
DAV: 15 -0.903340952610E+02 -0.25174E-02 -0.64855E-04 837 0.184E-01 0.350E-02
DAV: 16 -0.903351042558E+02 -0.10090E-02 -0.28962E-04 672 0.887E-02 0.321E-02
DAV: 17 -0.903360900449E+02 -0.98579E-03 -0.14609E-04 644 0.626E-02 0.233E-02
DAV: 18 -0.903363219278E+02 -0.23188E-03 -0.95249E-05 680 0.599E-02 0.987E-03
DAV: 19 -0.903365665780E+02 -0.24465E-03 -0.27855E-05 527 0.269E-02 0.632E-03
DAV: 20 -0.903366234117E+02 -0.56834E-04 -0.83990E-06 480 0.146E-02 0.477E-03
DAV: 21 -0.903366622825E+02 -0.38871E-04 -0.53980E-06 431 0.130E-02 0.574E-03
DAV: 22 -0.903366796882E+02 -0.17406E-04 -0.34130E-06 477 0.111E-02 0.376E-03
DAV: 23 -0.903366818758E+02 -0.21876E-05 -0.28926E-06 512 0.981E-03
1 F= -.90336682E+02 E0= -.90342857E+02 d E =0.185266E-01