./iterations/neb0_image04_iter27_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 0.366511322040E+03 0.36651E+03 -0.14291E+04 632 0.799E+02
DAV: 2 0.463498913407E+01 -0.36188E+03 -0.35020E+03 861 0.194E+02
DAV: 3 -0.944313387746E+02 -0.99066E+02 -0.98682E+02 672 0.115E+02
DAV: 4 -0.990044704061E+02 -0.45731E+01 -0.45571E+01 728 0.285E+01
DAV: 5 -0.990965873506E+02 -0.92117E-01 -0.92075E-01 736 0.364E+00 0.218E+01
DAV: 6 -0.906515634698E+02 0.84450E+01 -0.30214E+01 677 0.297E+01 0.113E+01
DAV: 7 -0.898109770980E+02 0.84059E+00 -0.16618E+00 728 0.642E+00 0.479E+00
DAV: 8 -0.894057712956E+02 0.40521E+00 -0.64065E-01 704 0.455E+00 0.162E+00
DAV: 9 -0.893151671623E+02 0.90604E-01 -0.13117E-01 728 0.165E+00 0.451E-01
DAV: 10 -0.893050079978E+02 0.10159E-01 -0.39520E-02 728 0.104E+00 0.325E-01
DAV: 11 -0.893085830106E+02 -0.35750E-02 -0.10846E-02 602 0.591E-01 0.137E-01
DAV: 12 -0.893100990442E+02 -0.15160E-02 -0.25100E-03 672 0.266E-01 0.115E-01
DAV: 13 -0.893151339478E+02 -0.50349E-02 -0.38593E-03 732 0.409E-01 0.859E-02
DAV: 14 -0.893177704170E+02 -0.26365E-02 -0.88803E-04 754 0.201E-01 0.457E-02
DAV: 15 -0.893204529674E+02 -0.26826E-02 -0.11680E-03 670 0.189E-01 0.505E-02
DAV: 16 -0.893214000871E+02 -0.94712E-03 -0.26619E-04 901 0.120E-01 0.198E-02
DAV: 17 -0.893225529507E+02 -0.11529E-02 -0.21831E-04 666 0.854E-02 0.168E-02
DAV: 18 -0.893230634491E+02 -0.51050E-03 -0.57136E-05 621 0.338E-02 0.148E-02
DAV: 19 -0.893232111700E+02 -0.14772E-03 -0.33868E-05 640 0.419E-02 0.498E-03
DAV: 20 -0.893233318776E+02 -0.12071E-03 -0.16229E-05 436 0.202E-02 0.431E-03
DAV: 21 -0.893233815353E+02 -0.49658E-04 -0.60225E-06 485 0.105E-02 0.388E-03
DAV: 22 -0.893234004089E+02 -0.18874E-04 -0.42154E-06 438 0.136E-02 0.218E-03
DAV: 23 -0.893234062395E+02 -0.58306E-05 -0.28975E-06 469 0.948E-03
1 F= -.89323406E+02 E0= -.89329498E+02 d E =0.182740E-01