iterations/neb0_image01_iter166_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 0.365827583606E+03 0.36583E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.319753184980E+01 -0.36263E+03 -0.34974E+03 839 0.196E+02
DAV: 3 -0.955955742214E+02 -0.98793E+02 -0.98444E+02 669 0.116E+02
DAV: 4 -0.100227282473E+03 -0.46317E+01 -0.46207E+01 680 0.287E+01
DAV: 5 -0.100320643853E+03 -0.93361E-01 -0.93310E-01 728 0.363E+00 0.222E+01
DAV: 6 -0.916875195865E+02 0.86331E+01 -0.30988E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908814095004E+02 0.80611E+00 -0.18308E+00 704 0.639E+00 0.484E+00
DAV: 8 -0.905055524740E+02 0.37586E+00 -0.55563E-01 704 0.430E+00 0.166E+00
DAV: 9 -0.904239126394E+02 0.81640E-01 -0.13215E-01 720 0.168E+00 0.423E-01
DAV: 10 -0.904193244542E+02 0.45882E-02 -0.47270E-02 712 0.124E+00 0.323E-01
DAV: 11 -0.904234477994E+02 -0.41233E-02 -0.81264E-03 608 0.583E-01 0.119E-01
DAV: 12 -0.904267267027E+02 -0.32789E-02 -0.63124E-03 637 0.436E-01 0.130E-01
DAV: 13 -0.904291861153E+02 -0.24594E-02 -0.15719E-03 861 0.305E-01 0.757E-02
DAV: 14 -0.904324108839E+02 -0.32248E-02 -0.15124E-03 631 0.198E-01 0.701E-02
DAV: 15 -0.904339524736E+02 -0.15416E-02 -0.29576E-04 712 0.115E-01 0.551E-02
DAV: 16 -0.904353204143E+02 -0.13679E-02 -0.11312E-03 661 0.207E-01 0.398E-02
DAV: 17 -0.904361414445E+02 -0.82103E-03 -0.15074E-04 661 0.842E-02 0.340E-02
DAV: 18 -0.904364542786E+02 -0.31283E-03 -0.69088E-05 672 0.407E-02 0.214E-02
DAV: 19 -0.904366622385E+02 -0.20796E-03 -0.12289E-04 633 0.647E-02 0.103E-02
DAV: 20 -0.904366878437E+02 -0.25605E-04 -0.13911E-05 528 0.242E-02 0.105E-02
DAV: 21 -0.904367241986E+02 -0.36355E-04 -0.85343E-06 407 0.172E-02 0.774E-03
DAV: 22 -0.904367404365E+02 -0.16238E-04 -0.56701E-06 480 0.193E-02 0.358E-03
DAV: 23 -0.904367443803E+02 -0.39438E-05 -0.77526E-06 496 0.155E-02
1 F= -.90436744E+02 E0= -.90442314E+02 d E =0.167091E-01