iterations/neb0_image02_iter119_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 0.364902831925E+03 0.36490E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.397792710089E+01 -0.36092E+03 -0.34638E+03 834 0.195E+02
DAV: 3 -0.955374686460E+02 -0.99515E+02 -0.99182E+02 664 0.116E+02
DAV: 4 -0.100210234464E+03 -0.46728E+01 -0.46616E+01 712 0.290E+01
DAV: 5 -0.100300024683E+03 -0.89790E-01 -0.89753E-01 728 0.363E+00 0.222E+01
DAV: 6 -0.916720220282E+02 0.86280E+01 -0.30933E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908522415006E+02 0.81978E+00 -0.18460E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904683725389E+02 0.38387E+00 -0.55474E-01 696 0.426E+00 0.169E+00
DAV: 9 -0.903789558335E+02 0.89417E-01 -0.13935E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903728943791E+02 0.60615E-02 -0.48994E-02 704 0.130E+00 0.327E-01
DAV: 11 -0.903764233999E+02 -0.35290E-02 -0.72793E-03 608 0.504E-01 0.149E-01
DAV: 12 -0.903798826572E+02 -0.34593E-02 -0.80976E-03 624 0.496E-01 0.139E-01
DAV: 13 -0.903824925088E+02 -0.26099E-02 -0.18212E-03 912 0.354E-01 0.802E-02
DAV: 14 -0.903855899635E+02 -0.30975E-02 -0.14270E-03 640 0.180E-01 0.620E-02
DAV: 15 -0.903877562161E+02 -0.21663E-02 -0.36317E-04 669 0.106E-01 0.466E-02
DAV: 16 -0.903892862241E+02 -0.15300E-02 -0.79115E-04 653 0.162E-01 0.348E-02
DAV: 17 -0.903901245610E+02 -0.83834E-03 -0.14231E-04 680 0.809E-02 0.249E-02
DAV: 18 -0.903903249720E+02 -0.20041E-03 -0.71096E-05 680 0.427E-02 0.101E-02
DAV: 19 -0.903904976609E+02 -0.17269E-03 -0.27961E-05 522 0.270E-02 0.350E-03
DAV: 20 -0.903905504608E+02 -0.52800E-04 -0.60354E-06 480 0.143E-02 0.549E-03
DAV: 21 -0.903905862443E+02 -0.35784E-04 -0.54291E-06 426 0.141E-02 0.516E-03
DAV: 22 -0.903906063893E+02 -0.20145E-04 -0.46952E-06 474 0.132E-02 0.294E-03
DAV: 23 -0.903906080712E+02 -0.16819E-05 -0.42748E-06 544 0.117E-02
1 F= -.90390608E+02 E0= -.90396519E+02 d E =0.177343E-01