./iterations/neb0_image02_iter298_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 0.366206602441E+03 0.36621E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.161965645536E+01 -0.36459E+03 -0.35266E+03 861 0.196E+02
DAV: 3 -0.957011915845E+02 -0.97321E+02 -0.96989E+02 648 0.116E+02
DAV: 4 -0.100292750531E+03 -0.45916E+01 -0.45802E+01 704 0.290E+01
DAV: 5 -0.100383268127E+03 -0.90518E-01 -0.90480E-01 720 0.366E+00 0.223E+01
DAV: 6 -0.916771665126E+02 0.87061E+01 -0.30896E+01 680 0.299E+01 0.118E+01
DAV: 7 -0.908418054105E+02 0.83536E+00 -0.18165E+00 712 0.633E+00 0.485E+00
DAV: 8 -0.904649764585E+02 0.37683E+00 -0.54386E-01 704 0.424E+00 0.170E+00
DAV: 9 -0.903828521794E+02 0.82124E-01 -0.12371E-01 720 0.194E+00 0.438E-01
DAV: 10 -0.903787723787E+02 0.40798E-02 -0.37158E-02 709 0.105E+00 0.321E-01
DAV: 11 -0.903821067903E+02 -0.33344E-02 -0.75129E-03 704 0.639E-01 0.138E-01
DAV: 12 -0.903847432133E+02 -0.26364E-02 -0.35880E-03 626 0.374E-01 0.104E-01
DAV: 13 -0.903882925316E+02 -0.35493E-02 -0.20397E-03 706 0.249E-01 0.732E-02
DAV: 14 -0.903919089344E+02 -0.36164E-02 -0.85935E-04 650 0.140E-01 0.422E-02
DAV: 15 -0.903933869813E+02 -0.14780E-02 -0.20769E-04 696 0.971E-02 0.207E-02
DAV: 16 -0.903950192772E+02 -0.16323E-02 -0.24755E-04 669 0.861E-02 0.195E-02
DAV: 17 -0.903955226542E+02 -0.50338E-03 -0.75475E-05 752 0.638E-02 0.159E-02
DAV: 18 -0.903957347663E+02 -0.21211E-03 -0.52974E-05 656 0.429E-02 0.116E-02
DAV: 19 -0.903958745540E+02 -0.13979E-03 -0.26895E-05 589 0.368E-02 0.428E-03
DAV: 20 -0.903959568610E+02 -0.82307E-04 -0.12148E-05 461 0.175E-02 0.333E-03
DAV: 21 -0.903959960194E+02 -0.39158E-04 -0.56200E-06 445 0.997E-03 0.180E-03
DAV: 22 -0.903960054499E+02 -0.94305E-05 -0.21360E-06 488 0.867E-03
1 F= -.90396005E+02 E0= -.90404687E+02 d E =0.260452E-01