iterations/neb0_image03_iter228_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 0.362705341987E+03 0.36271E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.362683037837E+00 -0.36234E+03 -0.35161E+03 850 0.195E+02
DAV: 3 -0.960154723026E+02 -0.96378E+02 -0.96059E+02 680 0.115E+02
DAV: 4 -0.100236943656E+03 -0.42215E+01 -0.42107E+01 712 0.271E+01
DAV: 5 -0.100321019266E+03 -0.84076E-01 -0.84043E-01 736 0.341E+00 0.222E+01
DAV: 6 -0.917155990698E+02 0.86054E+01 -0.30975E+01 693 0.297E+01 0.117E+01
DAV: 7 -0.908715944527E+02 0.84400E+00 -0.17957E+00 712 0.639E+00 0.485E+00
DAV: 8 -0.904746527313E+02 0.39694E+00 -0.57547E-01 688 0.440E+00 0.168E+00
DAV: 9 -0.903826936458E+02 0.91959E-01 -0.13513E-01 728 0.169E+00 0.441E-01
DAV: 10 -0.903755023236E+02 0.71913E-02 -0.52549E-02 712 0.132E+00 0.346E-01
DAV: 11 -0.903793795446E+02 -0.38772E-02 -0.80542E-03 624 0.583E-01 0.135E-01
DAV: 12 -0.903833610764E+02 -0.39815E-02 -0.80446E-03 618 0.439E-01 0.145E-01
DAV: 13 -0.903864146130E+02 -0.30535E-02 -0.21370E-03 896 0.383E-01 0.868E-02
DAV: 14 -0.903897593479E+02 -0.33447E-02 -0.15407E-03 637 0.198E-01 0.700E-02
DAV: 15 -0.903919785363E+02 -0.22192E-02 -0.37684E-04 680 0.967E-02 0.532E-02
DAV: 16 -0.903933684241E+02 -0.13899E-02 -0.67177E-04 656 0.154E-01 0.241E-02
DAV: 17 -0.903942702861E+02 -0.90186E-03 -0.10378E-04 672 0.548E-02 0.261E-02
DAV: 18 -0.903947846873E+02 -0.51440E-03 -0.10832E-04 656 0.556E-02 0.101E-02
DAV: 19 -0.903949156501E+02 -0.13096E-03 -0.37827E-05 688 0.317E-02 0.822E-03
DAV: 20 -0.903949672080E+02 -0.51558E-04 -0.44463E-06 464 0.130E-02 0.592E-03
DAV: 21 -0.903950289853E+02 -0.61777E-04 -0.13288E-05 461 0.188E-02 0.302E-03
DAV: 22 -0.903950358141E+02 -0.68288E-05 -0.42317E-06 520 0.117E-02
1 F= -.90395036E+02 E0= -.90401670E+02 d E =0.199022E-01