iterations/neb0_image01_iter58_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 0.366735519305E+03 0.36674E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.345860292467E+01 -0.36328E+03 -0.34985E+03 839 0.195E+02
DAV: 3 -0.956313708469E+02 -0.99090E+02 -0.98747E+02 672 0.116E+02
DAV: 4 -0.100204436887E+03 -0.45731E+01 -0.45634E+01 685 0.287E+01
DAV: 5 -0.100295898379E+03 -0.91461E-01 -0.91408E-01 744 0.362E+00 0.222E+01
DAV: 6 -0.916726441171E+02 0.86233E+01 -0.31183E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908613134670E+02 0.81133E+00 -0.18296E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904801558079E+02 0.38116E+00 -0.55481E-01 704 0.426E+00 0.168E+00
DAV: 9 -0.903941122589E+02 0.86044E-01 -0.13771E-01 704 0.165E+00 0.429E-01
DAV: 10 -0.903884251643E+02 0.56871E-02 -0.46018E-02 736 0.126E+00 0.317E-01
DAV: 11 -0.903922326009E+02 -0.38074E-02 -0.68865E-03 608 0.482E-01 0.144E-01
DAV: 12 -0.903956953604E+02 -0.34628E-02 -0.67495E-03 632 0.471E-01 0.125E-01
DAV: 13 -0.903985085467E+02 -0.28132E-02 -0.12242E-03 808 0.296E-01 0.783E-02
DAV: 14 -0.904014564705E+02 -0.29479E-02 -0.16220E-03 631 0.195E-01 0.617E-02
DAV: 15 -0.904036318587E+02 -0.21754E-02 -0.45415E-04 736 0.141E-01 0.444E-02
DAV: 16 -0.904047684776E+02 -0.11366E-02 -0.63322E-04 661 0.142E-01 0.346E-02
DAV: 17 -0.904056981025E+02 -0.92962E-03 -0.18227E-04 758 0.896E-02 0.220E-02
DAV: 18 -0.904058551398E+02 -0.15704E-03 -0.41331E-05 712 0.321E-02 0.151E-02
DAV: 19 -0.904061208485E+02 -0.26571E-03 -0.54504E-05 627 0.386E-02 0.377E-03
DAV: 20 -0.904061771572E+02 -0.56309E-04 -0.54275E-06 480 0.128E-02 0.428E-03
DAV: 21 -0.904062215908E+02 -0.44434E-04 -0.51437E-06 428 0.118E-02 0.343E-03
DAV: 22 -0.904062432856E+02 -0.21695E-04 -0.39996E-06 477 0.897E-03 0.252E-03
DAV: 23 -0.904062456999E+02 -0.24143E-05 -0.16060E-06 520 0.741E-03
1 F= -.90406246E+02 E0= -.90411272E+02 d E =0.150789E-01