iterations/neb0_image04_iter54_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 0.371181054455E+03 0.37118E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.457076732041E+01 -0.36661E+03 -0.35396E+03 861 0.195E+02
DAV: 3 -0.951476938471E+02 -0.99718E+02 -0.99384E+02 677 0.116E+02
DAV: 4 -0.996452287773E+02 -0.44975E+01 -0.44869E+01 712 0.281E+01
DAV: 5 -0.997329575682E+02 -0.87729E-01 -0.87685E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.912259615191E+02 0.85070E+01 -0.30101E+01 690 0.295E+01 0.116E+01
DAV: 7 -0.903862492734E+02 0.83971E+00 -0.17810E+00 712 0.630E+00 0.480E+00
DAV: 8 -0.899902335442E+02 0.39602E+00 -0.55913E-01 704 0.427E+00 0.167E+00
DAV: 9 -0.898947515073E+02 0.95482E-01 -0.13804E-01 720 0.176E+00 0.441E-01
DAV: 10 -0.898849799623E+02 0.97715E-02 -0.49086E-02 720 0.124E+00 0.333E-01
DAV: 11 -0.898888295334E+02 -0.38496E-02 -0.12534E-02 629 0.618E-01 0.141E-01
DAV: 12 -0.898905323285E+02 -0.17028E-02 -0.31905E-03 658 0.270E-01 0.118E-01
DAV: 13 -0.898953289360E+02 -0.47966E-02 -0.30328E-03 778 0.415E-01 0.721E-02
DAV: 14 -0.898979835387E+02 -0.26546E-02 -0.93381E-04 677 0.157E-01 0.574E-02
DAV: 15 -0.898999938962E+02 -0.20104E-02 -0.52697E-04 680 0.144E-01 0.237E-02
DAV: 16 -0.899018170461E+02 -0.18231E-02 -0.27858E-04 666 0.835E-02 0.292E-02
DAV: 17 -0.899025111215E+02 -0.69408E-03 -0.51343E-05 624 0.428E-02 0.202E-02
DAV: 18 -0.899030139237E+02 -0.50280E-03 -0.17541E-04 647 0.762E-02 0.144E-02
DAV: 19 -0.899030318390E+02 -0.17915E-04 -0.13402E-05 528 0.314E-02 0.877E-03
DAV: 20 -0.899031508553E+02 -0.11902E-03 -0.62522E-05 617 0.467E-02 0.110E-02
DAV: 21 -0.899031843212E+02 -0.33466E-04 -0.85596E-06 472 0.262E-02 0.541E-03
DAV: 22 -0.899032017239E+02 -0.17403E-04 -0.11758E-05 442 0.183E-02 0.267E-03
DAV: 23 -0.899032131323E+02 -0.11408E-04 -0.33210E-06 453 0.106E-02 0.364E-03
DAV: 24 -0.899032176754E+02 -0.45431E-05 -0.11393E-06 450 0.646E-03
1 F= -.89903218E+02 E0= -.89908829E+02 d E =0.168339E-01