./iterations/neb0_image08_iter155_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 0.374222078304E+03 0.37422E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.380389847127E+01 -0.37042E+03 -0.35832E+03 863 0.196E+02
DAV: 3 -0.967606417216E+02 -0.10056E+03 -0.10026E+03 677 0.117E+02
DAV: 4 -0.101235103972E+03 -0.44745E+01 -0.44613E+01 720 0.280E+01
DAV: 5 -0.101322219204E+03 -0.87115E-01 -0.87063E-01 720 0.355E+00 0.227E+01
DAV: 6 -0.926325433751E+02 0.86897E+01 -0.31067E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917723624509E+02 0.86018E+00 -0.17579E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913979802068E+02 0.37438E+00 -0.54053E-01 720 0.395E+00 0.163E+00
DAV: 9 -0.913162511162E+02 0.81729E-01 -0.13100E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913080539129E+02 0.81972E-02 -0.43080E-02 773 0.108E+00 0.294E-01
DAV: 11 -0.913126368443E+02 -0.45829E-02 -0.11821E-02 608 0.571E-01 0.136E-01
DAV: 12 -0.913156323859E+02 -0.29955E-02 -0.25982E-03 630 0.242E-01 0.103E-01
DAV: 13 -0.913190277462E+02 -0.33954E-02 -0.13234E-03 634 0.189E-01 0.440E-02
DAV: 14 -0.913223580033E+02 -0.33303E-02 -0.71498E-04 680 0.170E-01 0.339E-02
DAV: 15 -0.913236259697E+02 -0.12680E-02 -0.18057E-04 680 0.868E-02 0.334E-02
DAV: 16 -0.913250381982E+02 -0.14122E-02 -0.34511E-04 639 0.100E-01 0.192E-02
DAV: 17 -0.913254444800E+02 -0.40628E-03 -0.55644E-05 680 0.538E-02 0.138E-02
DAV: 18 -0.913256680654E+02 -0.22359E-03 -0.49997E-05 634 0.369E-02 0.114E-02
DAV: 19 -0.913257831833E+02 -0.11512E-03 -0.14948E-05 488 0.209E-02 0.576E-03
DAV: 20 -0.913258170637E+02 -0.33880E-04 -0.65174E-06 456 0.138E-02 0.285E-03
DAV: 21 -0.913258403130E+02 -0.23249E-04 -0.48262E-06 415 0.124E-02 0.148E-03
DAV: 22 -0.913258479342E+02 -0.76212E-05 -0.16537E-06 464 0.559E-03
1 F= -.91325848E+02 E0= -.91331404E+02 d E =0.166683E-01