iterations/neb0_image05_iter87_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 0.373311110652E+03 0.37331E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.342702823596E+01 -0.36988E+03 -0.35755E+03 885 0.194E+02
DAV: 3 -0.941354900882E+02 -0.97563E+02 -0.97218E+02 637 0.116E+02
DAV: 4 -0.986962748777E+02 -0.45608E+01 -0.45497E+01 704 0.296E+01
DAV: 5 -0.987955252838E+02 -0.99250E-01 -0.99208E-01 728 0.386E+00 0.218E+01
DAV: 6 -0.905038699123E+02 0.82917E+01 -0.28661E+01 698 0.288E+01 0.112E+01
DAV: 7 -0.896348499545E+02 0.86902E+00 -0.18018E+00 720 0.680E+00 0.468E+00
DAV: 8 -0.892454752349E+02 0.38937E+00 -0.62351E-01 712 0.450E+00 0.155E+00
DAV: 9 -0.891623991084E+02 0.83076E-01 -0.12285E-01 728 0.164E+00 0.446E-01
DAV: 10 -0.891502595832E+02 0.12140E-01 -0.49212E-02 720 0.120E+00 0.337E-01
DAV: 11 -0.891516088698E+02 -0.13493E-02 -0.98973E-03 637 0.571E-01 0.117E-01
DAV: 12 -0.891539099855E+02 -0.23011E-02 -0.35476E-03 680 0.318E-01 0.123E-01
DAV: 13 -0.891595095147E+02 -0.55995E-02 -0.19472E-03 834 0.316E-01 0.661E-02
DAV: 14 -0.891620597755E+02 -0.25503E-02 -0.79099E-04 658 0.132E-01 0.480E-02
DAV: 15 -0.891649334642E+02 -0.28737E-02 -0.62837E-04 757 0.143E-01 0.318E-02
DAV: 16 -0.891660832294E+02 -0.11498E-02 -0.11559E-04 688 0.553E-02 0.223E-02
DAV: 17 -0.891671794465E+02 -0.10962E-02 -0.15793E-04 644 0.607E-02 0.104E-02
DAV: 18 -0.891676198106E+02 -0.44036E-03 -0.52233E-05 656 0.332E-02 0.833E-03
DAV: 19 -0.891677088761E+02 -0.89066E-04 -0.94107E-06 504 0.216E-02 0.392E-03
DAV: 20 -0.891678143868E+02 -0.10551E-03 -0.21743E-05 481 0.230E-02 0.601E-03
DAV: 21 -0.891678331459E+02 -0.18759E-04 -0.28526E-06 488 0.110E-02 0.385E-03
DAV: 22 -0.891678396366E+02 -0.64907E-05 -0.46543E-06 437 0.126E-02
1 F= -.89167840E+02 E0= -.89171878E+02 d E =0.121137E-01