iterations/neb0_image06_iter64_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 0.375700391701E+03 0.37570E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.421371560146E+01 -0.37149E+03 -0.35917E+03 869 0.195E+02
DAV: 3 -0.955195999030E+02 -0.99733E+02 -0.99407E+02 656 0.117E+02
DAV: 4 -0.100078870597E+03 -0.45593E+01 -0.45480E+01 704 0.290E+01
DAV: 5 -0.100172240105E+03 -0.93370E-01 -0.93333E-01 736 0.370E+00 0.226E+01
DAV: 6 -0.915572654792E+02 0.86150E+01 -0.30736E+01 669 0.305E+01 0.118E+01
DAV: 7 -0.907124332894E+02 0.84483E+00 -0.16908E+00 728 0.625E+00 0.481E+00
DAV: 8 -0.903276113457E+02 0.38482E+00 -0.53152E-01 696 0.405E+00 0.165E+00
DAV: 9 -0.902371200142E+02 0.90491E-01 -0.13112E-01 720 0.171E+00 0.434E-01
DAV: 10 -0.902275899018E+02 0.95301E-02 -0.33850E-02 752 0.949E-01 0.295E-01
DAV: 11 -0.902312413792E+02 -0.36515E-02 -0.11996E-02 680 0.733E-01 0.172E-01
DAV: 12 -0.902323464125E+02 -0.11050E-02 -0.29669E-03 656 0.382E-01 0.110E-01
DAV: 13 -0.902368823595E+02 -0.45359E-02 -0.36762E-03 616 0.313E-01 0.118E-01
DAV: 14 -0.902393013475E+02 -0.24190E-02 -0.11473E-03 712 0.174E-01 0.455E-02
DAV: 15 -0.902425347568E+02 -0.32334E-02 -0.73585E-04 754 0.156E-01 0.363E-02
DAV: 16 -0.902441831786E+02 -0.16484E-02 -0.16395E-04 680 0.762E-02 0.217E-02
DAV: 17 -0.902449313759E+02 -0.74820E-03 -0.93390E-05 720 0.545E-02 0.158E-02
DAV: 18 -0.902456811407E+02 -0.74976E-03 -0.10837E-04 636 0.499E-02 0.120E-02
DAV: 19 -0.902457825096E+02 -0.10137E-03 -0.90402E-06 520 0.239E-02 0.807E-03
DAV: 20 -0.902459036308E+02 -0.12112E-03 -0.44034E-05 598 0.372E-02 0.857E-03
DAV: 21 -0.902459202621E+02 -0.16631E-04 -0.63374E-06 528 0.222E-02 0.352E-03
DAV: 22 -0.902459412411E+02 -0.20979E-04 -0.91565E-06 400 0.170E-02 0.262E-03
DAV: 23 -0.902459535556E+02 -0.12315E-04 -0.21341E-06 450 0.743E-03 0.257E-03
DAV: 24 -0.902459556887E+02 -0.21331E-05 -0.72775E-07 498 0.689E-03
1 F= -.90245956E+02 E0= -.90255473E+02 d E =0.285506E-01