iterations/neb0_image01_iter257_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 0.362932752522E+03 0.36293E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.316307936933E+01 -0.35977E+03 -0.34610E+03 831 0.195E+02
DAV: 3 -0.955902119326E+02 -0.98753E+02 -0.98403E+02 664 0.116E+02
DAV: 4 -0.100251627773E+03 -0.46614E+01 -0.46491E+01 688 0.291E+01
DAV: 5 -0.100343075415E+03 -0.91448E-01 -0.91408E-01 744 0.367E+00 0.222E+01
DAV: 6 -0.917058155378E+02 0.86373E+01 -0.30924E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908934056278E+02 0.81241E+00 -0.18337E+00 712 0.639E+00 0.485E+00
DAV: 8 -0.905140883260E+02 0.37932E+00 -0.55733E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904305241723E+02 0.83564E-01 -0.13486E-01 728 0.165E+00 0.425E-01
DAV: 10 -0.904257154998E+02 0.48087E-02 -0.46039E-02 728 0.124E+00 0.318E-01
DAV: 11 -0.904296195105E+02 -0.39040E-02 -0.66079E-03 608 0.501E-01 0.134E-01
DAV: 12 -0.904332396675E+02 -0.36202E-02 -0.70352E-03 640 0.487E-01 0.132E-01
DAV: 13 -0.904357803965E+02 -0.25407E-02 -0.16140E-03 882 0.313E-01 0.739E-02
DAV: 14 -0.904388208818E+02 -0.30405E-02 -0.12922E-03 642 0.172E-01 0.593E-02
DAV: 15 -0.904407615525E+02 -0.19407E-02 -0.37360E-04 680 0.111E-01 0.482E-02
DAV: 16 -0.904422003403E+02 -0.14388E-02 -0.81723E-04 666 0.172E-01 0.332E-02
DAV: 17 -0.904429328880E+02 -0.73255E-03 -0.11946E-04 672 0.757E-02 0.276E-02
DAV: 18 -0.904432272438E+02 -0.29436E-03 -0.11741E-04 661 0.565E-02 0.946E-03
DAV: 19 -0.904433714002E+02 -0.14416E-03 -0.33518E-05 517 0.304E-02 0.730E-03
DAV: 20 -0.904434014433E+02 -0.30043E-04 -0.48101E-06 488 0.148E-02 0.805E-03
DAV: 21 -0.904434319826E+02 -0.30539E-04 -0.63109E-06 425 0.172E-02 0.400E-03
DAV: 22 -0.904434378177E+02 -0.58351E-05 -0.52285E-06 488 0.128E-02
1 F= -.90443438E+02 E0= -.90449096E+02 d E =0.169746E-01