iterations/neb0_image03_iter288_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 0.363533456713E+03 0.36353E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.124840251787E+01 -0.36229E+03 -0.34973E+03 853 0.195E+02
DAV: 3 -0.958641408453E+02 -0.97113E+02 -0.96801E+02 653 0.115E+02
DAV: 4 -0.100300272482E+03 -0.44361E+01 -0.44269E+01 704 0.286E+01
DAV: 5 -0.100386103664E+03 -0.85831E-01 -0.85809E-01 728 0.359E+00 0.223E+01
DAV: 6 -0.916827529170E+02 0.87034E+01 -0.31526E+01 677 0.301E+01 0.117E+01
DAV: 7 -0.908552051886E+02 0.82755E+00 -0.17954E+00 712 0.627E+00 0.483E+00
DAV: 8 -0.904702028026E+02 0.38500E+00 -0.54312E-01 696 0.419E+00 0.171E+00
DAV: 9 -0.903800504243E+02 0.90152E-01 -0.13486E-01 712 0.172E+00 0.434E-01
DAV: 10 -0.903740541325E+02 0.59963E-02 -0.46186E-02 720 0.118E+00 0.329E-01
DAV: 11 -0.903782509307E+02 -0.41968E-02 -0.78442E-03 632 0.662E-01 0.115E-01
DAV: 12 -0.903813287230E+02 -0.30778E-02 -0.52484E-03 624 0.346E-01 0.120E-01
DAV: 13 -0.903851786511E+02 -0.38499E-02 -0.15918E-03 828 0.280E-01 0.797E-02
DAV: 14 -0.903886883197E+02 -0.35097E-02 -0.12400E-03 640 0.158E-01 0.562E-02
DAV: 15 -0.903905109499E+02 -0.18226E-02 -0.23303E-04 752 0.902E-02 0.270E-02
DAV: 16 -0.903922047613E+02 -0.16938E-02 -0.46212E-04 647 0.121E-01 0.317E-02
DAV: 17 -0.903925969590E+02 -0.39220E-03 -0.10734E-04 845 0.750E-02 0.165E-02
DAV: 18 -0.903927927158E+02 -0.19576E-03 -0.47107E-05 664 0.372E-02 0.952E-03
DAV: 19 -0.903930304017E+02 -0.23769E-03 -0.27093E-05 543 0.276E-02 0.594E-03
DAV: 20 -0.903931141531E+02 -0.83751E-04 -0.13279E-05 488 0.203E-02 0.316E-03
DAV: 21 -0.903931631551E+02 -0.49002E-04 -0.58328E-06 431 0.118E-02 0.182E-03
DAV: 22 -0.903931758352E+02 -0.12680E-04 -0.36039E-06 488 0.109E-02 0.268E-03
DAV: 23 -0.903931784511E+02 -0.26159E-05 -0.78832E-07 496 0.803E-03
1 F= -.90393178E+02 E0= -.90401398E+02 d E =0.246596E-01