iterations/neb0_image08_iter300_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 0.374931503525E+03 0.37493E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.429190508469E+01 -0.37064E+03 -0.35924E+03 869 0.195E+02
DAV: 3 -0.964429433804E+02 -0.10073E+03 -0.10040E+03 656 0.117E+02
DAV: 4 -0.101229992606E+03 -0.47870E+01 -0.47760E+01 712 0.298E+01
DAV: 5 -0.101324287520E+03 -0.94295E-01 -0.94258E-01 736 0.378E+00 0.227E+01
DAV: 6 -0.926418577941E+02 0.86824E+01 -0.30963E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.917786310281E+02 0.86323E+00 -0.17159E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914051980654E+02 0.37343E+00 -0.53049E-01 728 0.393E+00 0.164E+00
DAV: 9 -0.913215055747E+02 0.83692E-01 -0.13007E-01 736 0.153E+00 0.423E-01
DAV: 10 -0.913125560483E+02 0.89495E-02 -0.45722E-02 765 0.109E+00 0.303E-01
DAV: 11 -0.913175724993E+02 -0.50165E-02 -0.14610E-02 605 0.630E-01 0.159E-01
DAV: 12 -0.913202238737E+02 -0.26514E-02 -0.27910E-03 631 0.236E-01 0.113E-01
DAV: 13 -0.913242696343E+02 -0.40458E-02 -0.29936E-03 642 0.281E-01 0.606E-02
DAV: 14 -0.913274588705E+02 -0.31892E-02 -0.92367E-04 688 0.185E-01 0.273E-02
DAV: 15 -0.913291058569E+02 -0.16470E-02 -0.21298E-04 653 0.724E-02 0.215E-02
DAV: 16 -0.913300095324E+02 -0.90368E-03 -0.12889E-04 669 0.712E-02 0.124E-02
DAV: 17 -0.913305562354E+02 -0.54670E-03 -0.76303E-05 648 0.386E-02 0.124E-02
DAV: 18 -0.913306458902E+02 -0.89655E-04 -0.80703E-06 520 0.237E-02 0.640E-03
DAV: 19 -0.913308052802E+02 -0.15939E-03 -0.44921E-05 601 0.354E-02 0.820E-03
DAV: 20 -0.913308107581E+02 -0.54778E-05 -0.37204E-06 520 0.181E-02
1 F= -.91330811E+02 E0= -.91335460E+02 d E =0.139477E-01