./iterations/neb0_image08_iter153_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 0.374638221516E+03 0.37464E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.381662849592E+01 -0.37082E+03 -0.35870E+03 863 0.196E+02
DAV: 3 -0.966814334183E+02 -0.10050E+03 -0.10019E+03 669 0.117E+02
DAV: 4 -0.101246952019E+03 -0.45655E+01 -0.45528E+01 728 0.285E+01
DAV: 5 -0.101336521771E+03 -0.89570E-01 -0.89520E-01 712 0.361E+00 0.228E+01
DAV: 6 -0.926362694067E+02 0.87003E+01 -0.30990E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917706053496E+02 0.86566E+00 -0.17646E+00 712 0.618E+00 0.480E+00
DAV: 8 -0.913948630726E+02 0.37574E+00 -0.54502E-01 720 0.397E+00 0.163E+00
DAV: 9 -0.913130356562E+02 0.81827E-01 -0.13116E-01 720 0.155E+00 0.422E-01
DAV: 10 -0.913047311738E+02 0.83045E-02 -0.43291E-02 773 0.108E+00 0.295E-01
DAV: 11 -0.913092904492E+02 -0.45593E-02 -0.11589E-02 608 0.564E-01 0.134E-01
DAV: 12 -0.913123902869E+02 -0.30998E-02 -0.26786E-03 628 0.244E-01 0.105E-01
DAV: 13 -0.913157874051E+02 -0.33971E-02 -0.12721E-03 642 0.188E-01 0.441E-02
DAV: 14 -0.913191008484E+02 -0.33134E-02 -0.71848E-04 672 0.162E-01 0.343E-02
DAV: 15 -0.913204067830E+02 -0.13059E-02 -0.16144E-04 688 0.844E-02 0.342E-02
DAV: 16 -0.913218898291E+02 -0.14830E-02 -0.39842E-04 652 0.104E-01 0.214E-02
DAV: 17 -0.913222307240E+02 -0.34089E-03 -0.70669E-05 760 0.632E-02 0.129E-02
DAV: 18 -0.913224689604E+02 -0.23824E-03 -0.39101E-05 562 0.291E-02 0.103E-02
DAV: 19 -0.913225720563E+02 -0.10310E-03 -0.15501E-05 472 0.199E-02 0.513E-03
DAV: 20 -0.913226014279E+02 -0.29372E-04 -0.57104E-06 472 0.157E-02 0.225E-03
DAV: 21 -0.913226195716E+02 -0.18144E-04 -0.49010E-06 418 0.117E-02 0.238E-03
DAV: 22 -0.913226270691E+02 -0.74974E-05 -0.11868E-06 464 0.493E-03
1 F= -.91322627E+02 E0= -.91328084E+02 d E =0.163696E-01