iterations/neb0_image01_iter223_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 0.365457284826E+03 0.36546E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.324050932613E+01 -0.36222E+03 -0.34917E+03 839 0.196E+02
DAV: 3 -0.954157311896E+02 -0.98656E+02 -0.98311E+02 645 0.116E+02
DAV: 4 -0.100218662941E+03 -0.48029E+01 -0.47912E+01 704 0.297E+01
DAV: 5 -0.100314505227E+03 -0.95842E-01 -0.95792E-01 720 0.376E+00 0.222E+01
DAV: 6 -0.916916461793E+02 0.86229E+01 -0.30957E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908886833165E+02 0.80296E+00 -0.18282E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905129068879E+02 0.37578E+00 -0.55219E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904299740820E+02 0.82933E-01 -0.13369E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904253716172E+02 0.46025E-02 -0.46545E-02 720 0.124E+00 0.319E-01
DAV: 11 -0.904293272646E+02 -0.39556E-02 -0.71711E-03 608 0.531E-01 0.127E-01
DAV: 12 -0.904328986800E+02 -0.35714E-02 -0.69594E-03 629 0.474E-01 0.134E-01
DAV: 13 -0.904352941740E+02 -0.23955E-02 -0.17231E-03 861 0.319E-01 0.743E-02
DAV: 14 -0.904383940973E+02 -0.30999E-02 -0.14018E-03 642 0.185E-01 0.652E-02
DAV: 15 -0.904401476901E+02 -0.17536E-02 -0.32634E-04 680 0.110E-01 0.528E-02
DAV: 16 -0.904415539010E+02 -0.14062E-02 -0.99943E-04 669 0.193E-01 0.367E-02
DAV: 17 -0.904423287061E+02 -0.77481E-03 -0.13135E-04 672 0.771E-02 0.322E-02
DAV: 18 -0.904426433856E+02 -0.31468E-03 -0.10767E-04 664 0.545E-02 0.136E-02
DAV: 19 -0.904427948059E+02 -0.15142E-03 -0.55754E-05 661 0.391E-02 0.833E-03
DAV: 20 -0.904428295457E+02 -0.34740E-04 -0.41476E-06 488 0.152E-02 0.940E-03
DAV: 21 -0.904428674408E+02 -0.37895E-04 -0.75276E-06 412 0.172E-02 0.561E-03
DAV: 22 -0.904428749296E+02 -0.74888E-05 -0.70734E-06 480 0.157E-02
1 F= -.90442875E+02 E0= -.90448238E+02 d E =0.160895E-01