./iterations/neb0_image08_iter229_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 0.373649630809E+03 0.37365E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.266631472076E+01 -0.37098E+03 -0.35928E+03 877 0.196E+02
DAV: 3 -0.966534095054E+02 -0.99320E+02 -0.99016E+02 656 0.116E+02
DAV: 4 -0.101230935082E+03 -0.45775E+01 -0.45656E+01 720 0.289E+01
DAV: 5 -0.101321583837E+03 -0.90649E-01 -0.90599E-01 728 0.368E+00 0.227E+01
DAV: 6 -0.926504918744E+02 0.86711E+01 -0.30976E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917895439505E+02 0.86095E+00 -0.17221E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914152628310E+02 0.37428E+00 -0.54595E-01 720 0.396E+00 0.161E+00
DAV: 9 -0.913357727484E+02 0.79490E-01 -0.13024E-01 728 0.154E+00 0.418E-01
DAV: 10 -0.913279035009E+02 0.78692E-02 -0.44109E-02 752 0.106E+00 0.299E-01
DAV: 11 -0.913327627866E+02 -0.48593E-02 -0.13000E-02 608 0.592E-01 0.144E-01
DAV: 12 -0.913357365668E+02 -0.29738E-02 -0.26772E-03 634 0.223E-01 0.112E-01
DAV: 13 -0.913394622788E+02 -0.37257E-02 -0.24597E-03 639 0.259E-01 0.526E-02
DAV: 14 -0.913425535906E+02 -0.30913E-02 -0.71753E-04 653 0.155E-01 0.243E-02
DAV: 15 -0.913438969906E+02 -0.13434E-02 -0.13929E-04 680 0.627E-02 0.198E-02
DAV: 16 -0.913449724102E+02 -0.10754E-02 -0.15926E-04 636 0.716E-02 0.119E-02
DAV: 17 -0.913453726346E+02 -0.40022E-03 -0.32820E-05 600 0.319E-02 0.117E-02
DAV: 18 -0.913455741831E+02 -0.20155E-03 -0.36600E-05 629 0.335E-02 0.527E-03
DAV: 19 -0.913456523400E+02 -0.78157E-04 -0.79095E-06 456 0.149E-02 0.255E-03
DAV: 20 -0.913456761983E+02 -0.23858E-04 -0.40588E-06 485 0.850E-03 0.184E-03
DAV: 21 -0.913456855871E+02 -0.93888E-05 -0.12404E-06 426 0.494E-03
1 F= -.91345686E+02 E0= -.91350582E+02 d E =0.146885E-01