iterations/neb0_image04_iter129_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 0.369510931264E+03 0.36951E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.459817018744E+01 -0.36491E+03 -0.35178E+03 850 0.195E+02
DAV: 3 -0.954568343604E+02 -0.10006E+03 -0.99725E+02 682 0.116E+02
DAV: 4 -0.999367836668E+02 -0.44799E+01 -0.44685E+01 712 0.279E+01
DAV: 5 -0.100023966026E+03 -0.87182E-01 -0.87137E-01 728 0.350E+00 0.222E+01
DAV: 6 -0.914654570046E+02 0.85585E+01 -0.30178E+01 696 0.295E+01 0.116E+01
DAV: 7 -0.906088337540E+02 0.85662E+00 -0.17690E+00 712 0.629E+00 0.480E+00
DAV: 8 -0.902092004514E+02 0.39963E+00 -0.55908E-01 712 0.422E+00 0.164E+00
DAV: 9 -0.901154324121E+02 0.93768E-01 -0.13030E-01 720 0.181E+00 0.439E-01
DAV: 10 -0.901069162368E+02 0.85162E-02 -0.47957E-02 712 0.114E+00 0.339E-01
DAV: 11 -0.901117293387E+02 -0.48131E-02 -0.15666E-02 672 0.774E-01 0.174E-01
DAV: 12 -0.901124141149E+02 -0.68478E-03 -0.42382E-03 648 0.390E-01 0.137E-01
DAV: 13 -0.901163099613E+02 -0.38958E-02 -0.83316E-03 631 0.665E-01 0.123E-01
DAV: 14 -0.901187980686E+02 -0.24881E-02 -0.22784E-03 680 0.331E-01 0.818E-02
DAV: 15 -0.901208359635E+02 -0.20379E-02 -0.76708E-04 698 0.177E-01 0.441E-02
DAV: 16 -0.901229159778E+02 -0.20800E-02 -0.87804E-04 674 0.176E-01 0.454E-02
DAV: 17 -0.901237583431E+02 -0.84237E-03 -0.33727E-04 936 0.177E-01 0.306E-02
DAV: 18 -0.901242711629E+02 -0.51282E-03 -0.39971E-04 655 0.131E-01 0.286E-02
DAV: 19 -0.901244132940E+02 -0.14213E-03 -0.52611E-05 669 0.453E-02 0.204E-02
DAV: 20 -0.901245273731E+02 -0.11408E-03 -0.44554E-05 617 0.386E-02 0.143E-02
DAV: 21 -0.901246193803E+02 -0.92007E-04 -0.52420E-05 607 0.431E-02 0.821E-03
DAV: 22 -0.901246236191E+02 -0.42388E-05 -0.53237E-06 512 0.158E-02
1 F= -.90124624E+02 E0= -.90129163E+02 d E =0.136195E-01