iterations/neb0_image04_iter58_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 0.371016136454E+03 0.37102E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.443548929401E+01 -0.36658E+03 -0.35393E+03 861 0.195E+02
DAV: 3 -0.951598443483E+02 -0.99595E+02 -0.99269E+02 674 0.116E+02
DAV: 4 -0.996492315527E+02 -0.44894E+01 -0.44793E+01 704 0.281E+01
DAV: 5 -0.997372615129E+02 -0.88030E-01 -0.87980E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.912465929039E+02 0.84907E+01 -0.30067E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.904077582438E+02 0.83883E+00 -0.17725E+00 712 0.630E+00 0.479E+00
DAV: 8 -0.900139075053E+02 0.39385E+00 -0.55830E-01 712 0.427E+00 0.167E+00
DAV: 9 -0.899191024928E+02 0.94805E-01 -0.13824E-01 712 0.176E+00 0.443E-01
DAV: 10 -0.899094851263E+02 0.96174E-02 -0.49046E-02 720 0.125E+00 0.331E-01
DAV: 11 -0.899132336756E+02 -0.37485E-02 -0.11632E-02 629 0.596E-01 0.134E-01
DAV: 12 -0.899152547632E+02 -0.20211E-02 -0.33283E-03 655 0.280E-01 0.116E-01
DAV: 13 -0.899195203428E+02 -0.42656E-02 -0.22829E-03 853 0.377E-01 0.645E-02
DAV: 14 -0.899225106755E+02 -0.29903E-02 -0.95871E-04 661 0.156E-01 0.505E-02
DAV: 15 -0.899246999366E+02 -0.21893E-02 -0.40495E-04 824 0.128E-01 0.238E-02
DAV: 16 -0.899263109769E+02 -0.16110E-02 -0.24965E-04 669 0.774E-02 0.268E-02
DAV: 17 -0.899269849489E+02 -0.67397E-03 -0.61589E-05 680 0.473E-02 0.159E-02
DAV: 18 -0.899274643806E+02 -0.47943E-03 -0.14121E-04 639 0.656E-02 0.146E-02
DAV: 19 -0.899275007430E+02 -0.36362E-04 -0.10451E-05 520 0.289E-02 0.803E-03
DAV: 20 -0.899275998039E+02 -0.99061E-04 -0.43818E-05 617 0.375E-02 0.757E-03
DAV: 21 -0.899276268675E+02 -0.27064E-04 -0.50071E-06 480 0.192E-02 0.347E-03
DAV: 22 -0.899276399892E+02 -0.13122E-04 -0.74894E-06 458 0.153E-02 0.239E-03
DAV: 23 -0.899276478248E+02 -0.78356E-05 -0.15157E-06 445 0.598E-03
1 F= -.89927648E+02 E0= -.89933396E+02 d E =0.172453E-01