iterations/neb0_image08_iter176_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 0.373894420573E+03 0.37389E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.356521877240E+01 -0.37033E+03 -0.35818E+03 863 0.196E+02
DAV: 3 -0.967463575112E+02 -0.10031E+03 -0.10001E+03 677 0.117E+02
DAV: 4 -0.101251970327E+03 -0.45056E+01 -0.44929E+01 712 0.283E+01
DAV: 5 -0.101340403933E+03 -0.88434E-01 -0.88377E-01 712 0.359E+00 0.227E+01
DAV: 6 -0.926610098106E+02 0.86794E+01 -0.30942E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917884325440E+02 0.87258E+00 -0.17272E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914123254021E+02 0.37611E+00 -0.54780E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913325859549E+02 0.79739E-01 -0.12985E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913245031419E+02 0.80828E-02 -0.43889E-02 768 0.109E+00 0.299E-01
DAV: 11 -0.913291651872E+02 -0.46620E-02 -0.12520E-02 608 0.583E-01 0.139E-01
DAV: 12 -0.913321682058E+02 -0.30030E-02 -0.27949E-03 633 0.255E-01 0.993E-02
DAV: 13 -0.913355129078E+02 -0.33447E-02 -0.12668E-03 634 0.183E-01 0.456E-02
DAV: 14 -0.913389525901E+02 -0.34397E-02 -0.87511E-04 741 0.197E-01 0.404E-02
DAV: 15 -0.913398993063E+02 -0.94672E-03 -0.23058E-04 688 0.104E-01 0.348E-02
DAV: 16 -0.913410735819E+02 -0.11743E-02 -0.25774E-04 674 0.858E-02 0.117E-02
DAV: 17 -0.913418214669E+02 -0.74789E-03 -0.69653E-05 664 0.372E-02 0.134E-02
DAV: 18 -0.913421076869E+02 -0.28622E-03 -0.41599E-05 592 0.340E-02 0.766E-03
DAV: 19 -0.913421839019E+02 -0.76215E-04 -0.15897E-05 480 0.217E-02 0.586E-03
DAV: 20 -0.913422129136E+02 -0.29012E-04 -0.54199E-06 436 0.118E-02 0.442E-03
DAV: 21 -0.913422226515E+02 -0.97379E-05 -0.22266E-06 488 0.108E-02
1 F= -.91342223E+02 E0= -.91347374E+02 d E =0.154534E-01