./iterations/neb0_image04_iter120_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 0.369867388079E+03 0.36987E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.382182997370E+01 -0.36605E+03 -0.35424E+03 858 0.195E+02
DAV: 3 -0.954164438115E+02 -0.99238E+02 -0.98923E+02 677 0.116E+02
DAV: 4 -0.998682834324E+02 -0.44518E+01 -0.44411E+01 704 0.281E+01
DAV: 5 -0.999556340335E+02 -0.87351E-01 -0.87310E-01 728 0.354E+00 0.222E+01
DAV: 6 -0.914414756267E+02 0.85142E+01 -0.30005E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905862723759E+02 0.85520E+00 -0.17414E+00 704 0.626E+00 0.479E+00
DAV: 8 -0.901880291196E+02 0.39824E+00 -0.55547E-01 712 0.420E+00 0.163E+00
DAV: 9 -0.900940281913E+02 0.94001E-01 -0.13115E-01 720 0.178E+00 0.442E-01
DAV: 10 -0.900843887085E+02 0.96395E-02 -0.61978E-02 712 0.150E+00 0.361E-01
DAV: 11 -0.900883504202E+02 -0.39617E-02 -0.16372E-02 632 0.765E-01 0.147E-01
DAV: 12 -0.900901156357E+02 -0.17652E-02 -0.58258E-03 626 0.352E-01 0.149E-01
DAV: 13 -0.900928891429E+02 -0.27735E-02 -0.23686E-03 829 0.388E-01 0.792E-02
DAV: 14 -0.900971789908E+02 -0.42898E-02 -0.16318E-03 639 0.222E-01 0.697E-02
DAV: 15 -0.900993375135E+02 -0.21585E-02 -0.32411E-04 760 0.108E-01 0.491E-02
DAV: 16 -0.901011702496E+02 -0.18327E-02 -0.80443E-04 666 0.165E-01 0.334E-02
DAV: 17 -0.901019963915E+02 -0.82614E-03 -0.14158E-04 744 0.832E-02 0.188E-02
DAV: 18 -0.901024818930E+02 -0.48550E-03 -0.11239E-04 650 0.489E-02 0.113E-02
DAV: 19 -0.901026289037E+02 -0.14701E-03 -0.16065E-05 477 0.267E-02 0.373E-03
DAV: 20 -0.901027042691E+02 -0.75365E-04 -0.15155E-05 458 0.191E-02 0.342E-03
DAV: 21 -0.901027394831E+02 -0.35214E-04 -0.40655E-06 442 0.843E-03 0.246E-03
DAV: 22 -0.901027491175E+02 -0.96344E-05 -0.23994E-06 488 0.908E-03
1 F= -.90102749E+02 E0= -.90106983E+02 d E =0.127010E-01