iterations/neb0_image06_iter72_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 0.376158951016E+03 0.37616E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.421437858955E+01 -0.37194E+03 -0.35965E+03 866 0.195E+02
DAV: 3 -0.955629185784E+02 -0.99777E+02 -0.99456E+02 656 0.117E+02
DAV: 4 -0.100132562186E+03 -0.45696E+01 -0.45585E+01 704 0.291E+01
DAV: 5 -0.100226698591E+03 -0.94136E-01 -0.94096E-01 712 0.371E+00 0.227E+01
DAV: 6 -0.915950740867E+02 0.86316E+01 -0.30797E+01 685 0.306E+01 0.118E+01
DAV: 7 -0.907476993334E+02 0.84737E+00 -0.16931E+00 720 0.623E+00 0.481E+00
DAV: 8 -0.903635304952E+02 0.38417E+00 -0.53212E-01 712 0.404E+00 0.165E+00
DAV: 9 -0.902734718875E+02 0.90059E-01 -0.13098E-01 720 0.159E+00 0.423E-01
DAV: 10 -0.902637153831E+02 0.97565E-02 -0.45596E-02 720 0.110E+00 0.310E-01
DAV: 11 -0.902683088004E+02 -0.45934E-02 -0.11996E-02 618 0.645E-01 0.153E-01
DAV: 12 -0.902703359133E+02 -0.20271E-02 -0.27393E-03 636 0.256E-01 0.127E-01
DAV: 13 -0.902747907964E+02 -0.44549E-02 -0.29087E-03 641 0.354E-01 0.675E-02
DAV: 14 -0.902766601508E+02 -0.18694E-02 -0.48899E-04 712 0.139E-01 0.534E-02
DAV: 15 -0.902800182353E+02 -0.33581E-02 -0.93488E-04 677 0.177E-01 0.408E-02
DAV: 16 -0.902809791171E+02 -0.96088E-03 -0.20648E-04 696 0.835E-02 0.248E-02
DAV: 17 -0.902816835692E+02 -0.70445E-03 -0.12498E-04 778 0.673E-02 0.121E-02
DAV: 18 -0.902823406860E+02 -0.65712E-03 -0.10089E-04 644 0.502E-02 0.968E-03
DAV: 19 -0.902823794351E+02 -0.38749E-04 -0.56941E-06 536 0.200E-02 0.730E-03
DAV: 20 -0.902824670579E+02 -0.87623E-04 -0.29717E-05 536 0.348E-02 0.850E-03
DAV: 21 -0.902825040401E+02 -0.36982E-04 -0.60149E-06 469 0.173E-02 0.576E-03
DAV: 22 -0.902825215088E+02 -0.17469E-04 -0.59685E-06 433 0.131E-02 0.228E-03
DAV: 23 -0.902825294570E+02 -0.79482E-05 -0.44391E-06 444 0.136E-02
1 F= -.90282529E+02 E0= -.90288532E+02 d E =0.180084E-01