iterations/neb0_image08_iter134_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 0.374659955976E+03 0.37466E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.319108578650E+01 -0.37147E+03 -0.35871E+03 869 0.196E+02
DAV: 3 -0.967571746271E+02 -0.99948E+02 -0.99610E+02 677 0.117E+02
DAV: 4 -0.101156370969E+03 -0.43992E+01 -0.43889E+01 704 0.278E+01
DAV: 5 -0.101243870805E+03 -0.87500E-01 -0.87463E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.926243028367E+02 0.86196E+01 -0.30804E+01 714 0.301E+01 0.118E+01
DAV: 7 -0.917647610639E+02 0.85954E+00 -0.17062E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913876789456E+02 0.37708E+00 -0.55820E-01 704 0.402E+00 0.161E+00
DAV: 9 -0.913068476600E+02 0.80831E-01 -0.13000E-01 720 0.157E+00 0.423E-01
DAV: 10 -0.912981476414E+02 0.87000E-02 -0.45211E-02 736 0.111E+00 0.302E-01
DAV: 11 -0.913026964115E+02 -0.45488E-02 -0.12560E-02 605 0.580E-01 0.142E-01
DAV: 12 -0.913058229035E+02 -0.31265E-02 -0.29520E-03 620 0.260E-01 0.110E-01
DAV: 13 -0.913091247110E+02 -0.33018E-02 -0.10789E-03 685 0.184E-01 0.500E-02
DAV: 14 -0.913123768391E+02 -0.32521E-02 -0.88716E-04 648 0.168E-01 0.403E-02
DAV: 15 -0.913139120728E+02 -0.15352E-02 -0.22512E-04 736 0.992E-02 0.437E-02
DAV: 16 -0.913152254507E+02 -0.13134E-02 -0.39520E-04 640 0.995E-02 0.169E-02
DAV: 17 -0.913157032415E+02 -0.47779E-03 -0.64487E-05 680 0.504E-02 0.150E-02
DAV: 18 -0.913159969537E+02 -0.29371E-03 -0.59575E-05 626 0.376E-02 0.108E-02
DAV: 19 -0.913160545670E+02 -0.57613E-04 -0.84448E-06 496 0.210E-02 0.461E-03
DAV: 20 -0.913160810760E+02 -0.26509E-04 -0.84176E-06 429 0.167E-02 0.174E-03
DAV: 21 -0.913161011186E+02 -0.20043E-04 -0.26805E-06 431 0.721E-03 0.215E-03
DAV: 22 -0.913161082222E+02 -0.71037E-05 -0.95153E-07 450 0.527E-03
1 F= -.91316108E+02 E0= -.91321124E+02 d E =0.150486E-01