./iterations/neb0_image08_iter99_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 0.375466475090E+03 0.37547E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.353650446642E+01 -0.37193E+03 -0.35879E+03 869 0.196E+02
DAV: 3 -0.967417496563E+02 -0.10028E+03 -0.99937E+02 688 0.117E+02
DAV: 4 -0.101127009307E+03 -0.43853E+01 -0.43750E+01 696 0.275E+01
DAV: 5 -0.101214092660E+03 -0.87083E-01 -0.87046E-01 736 0.347E+00 0.227E+01
DAV: 6 -0.925989810992E+02 0.86151E+01 -0.30771E+01 693 0.301E+01 0.119E+01
DAV: 7 -0.917322576448E+02 0.86672E+00 -0.16852E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913525941077E+02 0.37966E+00 -0.55980E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912705370145E+02 0.82057E-01 -0.12949E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.912613341079E+02 0.92029E-02 -0.46642E-02 728 0.112E+00 0.306E-01
DAV: 11 -0.912659946977E+02 -0.46606E-02 -0.13733E-02 616 0.605E-01 0.155E-01
DAV: 12 -0.912688921752E+02 -0.28975E-02 -0.30316E-03 615 0.252E-01 0.121E-01
DAV: 13 -0.912724571186E+02 -0.35649E-02 -0.15354E-03 720 0.223E-01 0.460E-02
DAV: 14 -0.912755945560E+02 -0.31374E-02 -0.63718E-04 637 0.136E-01 0.377E-02
DAV: 15 -0.912774528046E+02 -0.18582E-02 -0.18886E-04 656 0.781E-02 0.409E-02
DAV: 16 -0.912787249508E+02 -0.12721E-02 -0.37293E-04 650 0.977E-02 0.190E-02
DAV: 17 -0.912790992908E+02 -0.37434E-03 -0.64746E-05 688 0.571E-02 0.145E-02
DAV: 18 -0.912793632050E+02 -0.26391E-03 -0.50316E-05 631 0.340E-02 0.133E-02
DAV: 19 -0.912794431496E+02 -0.79945E-04 -0.10214E-05 464 0.212E-02 0.643E-03
DAV: 20 -0.912794791026E+02 -0.35953E-04 -0.16509E-05 464 0.253E-02 0.313E-03
DAV: 21 -0.912795006117E+02 -0.21509E-04 -0.36016E-06 440 0.989E-03 0.307E-03
DAV: 22 -0.912795083915E+02 -0.77798E-05 -0.13820E-06 448 0.692E-03
1 F= -.91279508E+02 E0= -.91284510E+02 d E =0.150035E-01