./iterations/neb0_image01_iter117_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 0.366178718686E+03 0.36618E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.335015533119E+01 -0.36283E+03 -0.34957E+03 839 0.195E+02
DAV: 3 -0.956729870219E+02 -0.99023E+02 -0.98678E+02 677 0.116E+02
DAV: 4 -0.100187281206E+03 -0.45143E+01 -0.45046E+01 693 0.283E+01
DAV: 5 -0.100277688257E+03 -0.90407E-01 -0.90354E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916806104685E+02 0.85971E+01 -0.31031E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908709209524E+02 0.80969E+00 -0.18173E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904919726601E+02 0.37895E+00 -0.56127E-01 712 0.430E+00 0.167E+00
DAV: 9 -0.904087299622E+02 0.83243E-01 -0.13478E-01 712 0.164E+00 0.427E-01
DAV: 10 -0.904035947253E+02 0.51352E-02 -0.44844E-02 720 0.124E+00 0.314E-01
DAV: 11 -0.904074579498E+02 -0.38632E-02 -0.64535E-03 608 0.474E-01 0.141E-01
DAV: 12 -0.904110278970E+02 -0.35699E-02 -0.68843E-03 626 0.487E-01 0.127E-01
DAV: 13 -0.904137066548E+02 -0.26788E-02 -0.14249E-03 848 0.305E-01 0.747E-02
DAV: 14 -0.904166461984E+02 -0.29395E-02 -0.13520E-03 642 0.174E-01 0.567E-02
DAV: 15 -0.904186674650E+02 -0.20213E-02 -0.36352E-04 672 0.115E-01 0.441E-02
DAV: 16 -0.904200453996E+02 -0.13779E-02 -0.73003E-04 661 0.159E-01 0.346E-02
DAV: 17 -0.904208187801E+02 -0.77338E-03 -0.16035E-04 805 0.916E-02 0.210E-02
DAV: 18 -0.904209990625E+02 -0.18028E-03 -0.46932E-05 688 0.341E-02 0.124E-02
DAV: 19 -0.904212206001E+02 -0.22154E-03 -0.59677E-05 633 0.392E-02 0.660E-03
DAV: 20 -0.904212346242E+02 -0.14024E-04 -0.43358E-06 520 0.134E-02 0.661E-03
DAV: 21 -0.904212715345E+02 -0.36910E-04 -0.63195E-06 406 0.152E-02 0.424E-03
DAV: 22 -0.904212870788E+02 -0.15544E-04 -0.40194E-06 477 0.123E-02 0.233E-03
DAV: 23 -0.904212892034E+02 -0.21247E-05 -0.22343E-06 528 0.863E-03
1 F= -.90421289E+02 E0= -.90426442E+02 d E =0.154590E-01