iterations/neb0_image03_iter87_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 0.367076035461E+03 0.36708E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.280733521169E+01 -0.36427E+03 -0.35176E+03 853 0.195E+02
DAV: 3 -0.955924791906E+02 -0.98400E+02 -0.98080E+02 661 0.116E+02
DAV: 4 -0.100123028517E+03 -0.45305E+01 -0.45209E+01 720 0.287E+01
DAV: 5 -0.100211456931E+03 -0.88428E-01 -0.88393E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916400014715E+02 0.85715E+01 -0.30645E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.907947354242E+02 0.84527E+00 -0.18269E+00 696 0.639E+00 0.483E+00
DAV: 8 -0.903900964938E+02 0.40464E+00 -0.57234E-01 696 0.431E+00 0.164E+00
DAV: 9 -0.902953882501E+02 0.94708E-01 -0.13714E-01 696 0.173E+00 0.436E-01
DAV: 10 -0.902875029301E+02 0.78853E-02 -0.49335E-02 712 0.119E+00 0.338E-01
DAV: 11 -0.902913214267E+02 -0.38185E-02 -0.82298E-03 605 0.583E-01 0.114E-01
DAV: 12 -0.902938725438E+02 -0.25511E-02 -0.47448E-03 639 0.306E-01 0.122E-01
DAV: 13 -0.902981262728E+02 -0.42537E-02 -0.20024E-03 832 0.360E-01 0.838E-02
DAV: 14 -0.903010412598E+02 -0.29150E-02 -0.91090E-04 661 0.142E-01 0.627E-02
DAV: 15 -0.903035413322E+02 -0.25001E-02 -0.60538E-04 672 0.144E-01 0.287E-02
DAV: 16 -0.903053552084E+02 -0.18139E-02 -0.37651E-04 682 0.102E-01 0.275E-02
DAV: 17 -0.903060015551E+02 -0.64635E-03 -0.80277E-05 672 0.494E-02 0.170E-02
DAV: 18 -0.903062949348E+02 -0.29338E-03 -0.79083E-05 656 0.477E-02 0.846E-03
DAV: 19 -0.903064032475E+02 -0.10831E-03 -0.85155E-06 469 0.164E-02 0.611E-03
DAV: 20 -0.903064710813E+02 -0.67834E-04 -0.94177E-06 450 0.164E-02 0.272E-03
DAV: 21 -0.903065070173E+02 -0.35936E-04 -0.66735E-06 440 0.130E-02 0.226E-03
DAV: 22 -0.903065128868E+02 -0.58694E-05 -0.14119E-06 520 0.717E-03
1 F= -.90306513E+02 E0= -.90314523E+02 d E =0.240316E-01