./iterations/neb0_image06_iter124_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 0.375594027894E+03 0.37559E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.373315180384E+01 -0.37186E+03 -0.35996E+03 882 0.195E+02
DAV: 3 -0.955591049986E+02 -0.99292E+02 -0.98971E+02 648 0.116E+02
DAV: 4 -0.100294843865E+03 -0.47357E+01 -0.47237E+01 696 0.294E+01
DAV: 5 -0.100392779719E+03 -0.97936E-01 -0.97886E-01 736 0.376E+00 0.226E+01
DAV: 6 -0.918092714466E+02 0.85835E+01 -0.30798E+01 701 0.305E+01 0.118E+01
DAV: 7 -0.909983053736E+02 0.81097E+00 -0.17526E+00 720 0.632E+00 0.480E+00
DAV: 8 -0.906221073698E+02 0.37620E+00 -0.49281E-01 720 0.398E+00 0.169E+00
DAV: 9 -0.905295656724E+02 0.92542E-01 -0.13822E-01 717 0.173E+00 0.418E-01
DAV: 10 -0.905208384057E+02 0.87273E-02 -0.37774E-02 800 0.102E+00 0.296E-01
DAV: 11 -0.905253573360E+02 -0.45189E-02 -0.15092E-02 602 0.775E-01 0.186E-01
DAV: 12 -0.905262744000E+02 -0.91706E-03 -0.28134E-03 690 0.331E-01 0.126E-01
DAV: 13 -0.905310629701E+02 -0.47886E-02 -0.49193E-03 670 0.459E-01 0.993E-02
DAV: 14 -0.905325198468E+02 -0.14569E-02 -0.67971E-04 768 0.177E-01 0.772E-02
DAV: 15 -0.905349679532E+02 -0.24481E-02 -0.11545E-03 685 0.222E-01 0.273E-02
DAV: 16 -0.905373211025E+02 -0.23531E-02 -0.34968E-04 647 0.961E-02 0.284E-02
DAV: 17 -0.905382024373E+02 -0.88133E-03 -0.53562E-05 629 0.339E-02 0.208E-02
DAV: 18 -0.905388387062E+02 -0.63627E-03 -0.16884E-04 626 0.797E-02 0.123E-02
DAV: 19 -0.905389579550E+02 -0.11925E-03 -0.17408E-05 568 0.309E-02 0.105E-02
DAV: 20 -0.905390302256E+02 -0.72271E-04 -0.18824E-05 490 0.246E-02 0.412E-03
DAV: 21 -0.905390852212E+02 -0.54996E-04 -0.49742E-06 431 0.113E-02 0.234E-03
DAV: 22 -0.905391034141E+02 -0.18193E-04 -0.34525E-06 469 0.971E-03 0.129E-03
DAV: 23 -0.905391093640E+02 -0.59500E-05 -0.10411E-06 419 0.523E-03
1 F= -.90539109E+02 E0= -.90547833E+02 d E =0.261697E-01