iterations/neb0_image06_iter180_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 0.371021001167E+03 0.37102E+03 -0.14348E+04 640 0.799E+02
DAV: 2 0.328582068731E+01 -0.36774E+03 -0.35574E+03 877 0.193E+02
DAV: 3 -0.960925382328E+02 -0.99378E+02 -0.99037E+02 693 0.116E+02
DAV: 4 -0.100513081584E+03 -0.44205E+01 -0.44093E+01 720 0.276E+01
DAV: 5 -0.100599794009E+03 -0.86712E-01 -0.86671E-01 728 0.346E+00 0.226E+01
DAV: 6 -0.920521056174E+02 0.85477E+01 -0.30531E+01 693 0.301E+01 0.118E+01
DAV: 7 -0.912176406608E+02 0.83446E+00 -0.17243E+00 728 0.625E+00 0.481E+00
DAV: 8 -0.908397553514E+02 0.37789E+00 -0.55674E-01 712 0.413E+00 0.164E+00
DAV: 9 -0.907525110214E+02 0.87244E-01 -0.12740E-01 720 0.158E+00 0.422E-01
DAV: 10 -0.907424447443E+02 0.10066E-01 -0.36116E-02 736 0.946E-01 0.283E-01
DAV: 11 -0.907463671672E+02 -0.39224E-02 -0.87146E-03 596 0.473E-01 0.137E-01
DAV: 12 -0.907494907938E+02 -0.31236E-02 -0.23870E-03 612 0.272E-01 0.815E-02
DAV: 13 -0.907531227800E+02 -0.36320E-02 -0.12499E-03 636 0.160E-01 0.672E-02
DAV: 14 -0.907569566718E+02 -0.38339E-02 -0.14597E-03 672 0.251E-01 0.486E-02
DAV: 15 -0.907582361172E+02 -0.12794E-02 -0.25639E-04 760 0.106E-01 0.410E-02
DAV: 16 -0.907597800672E+02 -0.15440E-02 -0.48419E-04 674 0.130E-01 0.218E-02
DAV: 17 -0.907604445620E+02 -0.66449E-03 -0.10675E-04 720 0.640E-02 0.120E-02
DAV: 18 -0.907607090074E+02 -0.26445E-03 -0.35727E-05 592 0.254E-02 0.747E-03
DAV: 19 -0.907608378342E+02 -0.12883E-03 -0.13363E-05 431 0.163E-02 0.279E-03
DAV: 20 -0.907608685591E+02 -0.30725E-04 -0.47164E-06 504 0.965E-03 0.144E-03
DAV: 21 -0.907608901752E+02 -0.21616E-04 -0.29724E-06 406 0.659E-03 0.162E-03
DAV: 22 -0.907608931750E+02 -0.29998E-05 -0.67437E-07 496 0.353E-03
1 F= -.90760893E+02 E0= -.90765585E+02 d E =0.140742E-01