./iterations/neb0_image05_iter81_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 0.372956031552E+03 0.37296E+03 -0.14303E+04 632 0.799E+02
DAV: 2 0.343496390121E+01 -0.36952E+03 -0.35738E+03 885 0.194E+02
DAV: 3 -0.941063522580E+02 -0.97541E+02 -0.97197E+02 645 0.116E+02
DAV: 4 -0.986256138449E+02 -0.45193E+01 -0.45078E+01 704 0.292E+01
DAV: 5 -0.987241656266E+02 -0.98552E-01 -0.98512E-01 744 0.380E+00 0.218E+01
DAV: 6 -0.904650444870E+02 0.82591E+01 -0.28828E+01 706 0.290E+01 0.112E+01
DAV: 7 -0.896144135676E+02 0.85063E+00 -0.17952E+00 720 0.675E+00 0.468E+00
DAV: 8 -0.892282763257E+02 0.38614E+00 -0.61563E-01 712 0.444E+00 0.155E+00
DAV: 9 -0.891446555651E+02 0.83621E-01 -0.12379E-01 728 0.163E+00 0.440E-01
DAV: 10 -0.891332757061E+02 0.11380E-01 -0.48080E-02 712 0.117E+00 0.334E-01
DAV: 11 -0.891349768865E+02 -0.17012E-02 -0.98250E-03 629 0.567E-01 0.119E-01
DAV: 12 -0.891371227212E+02 -0.21458E-02 -0.31828E-03 680 0.306E-01 0.115E-01
DAV: 13 -0.891424694516E+02 -0.53467E-02 -0.17074E-03 799 0.284E-01 0.658E-02
DAV: 14 -0.891451603505E+02 -0.26909E-02 -0.76313E-04 674 0.130E-01 0.416E-02
DAV: 15 -0.891484767725E+02 -0.33164E-02 -0.77219E-04 709 0.155E-01 0.345E-02
DAV: 16 -0.891492153017E+02 -0.73853E-03 -0.85327E-05 784 0.620E-02 0.215E-02
DAV: 17 -0.891502253517E+02 -0.10100E-02 -0.21233E-04 644 0.789E-02 0.141E-02
DAV: 18 -0.891506284484E+02 -0.40310E-03 -0.44997E-05 632 0.475E-02 0.759E-03
DAV: 19 -0.891507785893E+02 -0.15014E-03 -0.24618E-05 520 0.258E-02 0.564E-03
DAV: 20 -0.891508681111E+02 -0.89522E-04 -0.13918E-05 436 0.219E-02 0.338E-03
DAV: 21 -0.891508939844E+02 -0.25873E-04 -0.39072E-06 488 0.956E-03 0.296E-03
DAV: 22 -0.891509048601E+02 -0.10876E-04 -0.30267E-06 437 0.116E-02 0.171E-03
DAV: 23 -0.891509084025E+02 -0.35424E-05 -0.11172E-06 480 0.631E-03
1 F= -.89150908E+02 E0= -.89154988E+02 d E =0.122401E-01