iterations/neb0_image03_iter127_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 0.366350786105E+03 0.36635E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.266753973188E+01 -0.36368E+03 -0.35249E+03 853 0.195E+02
DAV: 3 -0.958583008129E+02 -0.98526E+02 -0.98219E+02 685 0.116E+02
DAV: 4 -0.100180282816E+03 -0.43220E+01 -0.43126E+01 704 0.273E+01
DAV: 5 -0.100266767612E+03 -0.86485E-01 -0.86449E-01 736 0.342E+00 0.222E+01
DAV: 6 -0.916855979045E+02 0.85812E+01 -0.30737E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908450034323E+02 0.84059E+00 -0.18173E+00 712 0.640E+00 0.482E+00
DAV: 8 -0.904440420113E+02 0.40096E+00 -0.56309E-01 704 0.434E+00 0.167E+00
DAV: 9 -0.903486947461E+02 0.95347E-01 -0.12906E-01 712 0.187E+00 0.459E-01
DAV: 10 -0.903402373031E+02 0.84574E-02 -0.37598E-02 712 0.969E-01 0.336E-01
DAV: 11 -0.903427676311E+02 -0.25303E-02 -0.77879E-03 789 0.634E-01 0.158E-01
DAV: 12 -0.903447345778E+02 -0.19669E-02 -0.34407E-03 645 0.369E-01 0.116E-01
DAV: 13 -0.903494723821E+02 -0.47378E-02 -0.32264E-03 626 0.311E-01 0.853E-02
DAV: 14 -0.903538675224E+02 -0.43951E-02 -0.10161E-03 647 0.171E-01 0.447E-02
DAV: 15 -0.903557005112E+02 -0.18330E-02 -0.32964E-04 688 0.105E-01 0.226E-02
DAV: 16 -0.903574061988E+02 -0.17057E-02 -0.14060E-04 661 0.550E-02 0.135E-02
DAV: 17 -0.903584733591E+02 -0.10672E-02 -0.10650E-04 648 0.438E-02 0.659E-03
DAV: 18 -0.903587545544E+02 -0.28120E-03 -0.27758E-05 600 0.206E-02 0.542E-03
DAV: 19 -0.903588801058E+02 -0.12555E-03 -0.14205E-05 444 0.281E-02 0.438E-03
DAV: 20 -0.903589238043E+02 -0.43699E-04 -0.78596E-06 464 0.146E-02 0.415E-03
DAV: 21 -0.903589401658E+02 -0.16362E-04 -0.39872E-06 472 0.131E-02 0.202E-03
DAV: 22 -0.903589483683E+02 -0.82025E-05 -0.22330E-06 437 0.841E-03
1 F= -.90358948E+02 E0= -.90367626E+02 d E =0.260323E-01