iterations/neb0_image08_iter204_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 0.373682834396E+03 0.37368E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.353269157349E+01 -0.37015E+03 -0.35777E+03 869 0.196E+02
DAV: 3 -0.967106239953E+02 -0.10024E+03 -0.99936E+02 669 0.117E+02
DAV: 4 -0.101254566647E+03 -0.45439E+01 -0.45312E+01 720 0.287E+01
DAV: 5 -0.101343001698E+03 -0.88435E-01 -0.88381E-01 720 0.363E+00 0.227E+01
DAV: 6 -0.926548395849E+02 0.86882E+01 -0.31045E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917916668780E+02 0.86317E+00 -0.17365E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.914169613513E+02 0.37471E+00 -0.53749E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913362586693E+02 0.80703E-01 -0.13275E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913283309371E+02 0.79277E-02 -0.45395E-02 752 0.110E+00 0.304E-01
DAV: 11 -0.913331740924E+02 -0.48432E-02 -0.14250E-02 608 0.624E-01 0.151E-01
DAV: 12 -0.913359941498E+02 -0.28201E-02 -0.28218E-03 633 0.242E-01 0.108E-01
DAV: 13 -0.913395174539E+02 -0.35233E-02 -0.20378E-03 634 0.235E-01 0.474E-02
DAV: 14 -0.913429870216E+02 -0.34696E-02 -0.90431E-04 669 0.190E-01 0.353E-02
DAV: 15 -0.913440085371E+02 -0.10215E-02 -0.22122E-04 696 0.906E-02 0.286E-02
DAV: 16 -0.913449142537E+02 -0.90572E-03 -0.19221E-04 693 0.853E-02 0.120E-02
DAV: 17 -0.913456373030E+02 -0.72305E-03 -0.69206E-05 650 0.380E-02 0.144E-02
DAV: 18 -0.913458697962E+02 -0.23249E-03 -0.27239E-05 600 0.282E-02 0.872E-03
DAV: 19 -0.913460012938E+02 -0.13150E-03 -0.35164E-05 621 0.309E-02 0.678E-03
DAV: 20 -0.913460136840E+02 -0.12390E-04 -0.26379E-06 520 0.146E-02 0.381E-03
DAV: 21 -0.913460262531E+02 -0.12569E-04 -0.44799E-06 418 0.115E-02 0.127E-03
DAV: 22 -0.913460361518E+02 -0.98987E-05 -0.11666E-06 437 0.485E-03
1 F= -.91346036E+02 E0= -.91351068E+02 d E =0.150948E-01