iterations/neb0_image01_iter283_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 0.362704864468E+03 0.36270E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.300028164271E+01 -0.35970E+03 -0.34742E+03 828 0.195E+02
DAV: 3 -0.955970070910E+02 -0.98597E+02 -0.98259E+02 658 0.115E+02
DAV: 4 -0.100211047789E+03 -0.46140E+01 -0.46014E+01 696 0.287E+01
DAV: 5 -0.100300035997E+03 -0.88988E-01 -0.88942E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916952646678E+02 0.86048E+01 -0.30933E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908922107774E+02 0.80305E+00 -0.18488E+00 720 0.639E+00 0.483E+00
DAV: 8 -0.905144741448E+02 0.37774E+00 -0.55135E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904286565078E+02 0.85818E-01 -0.13644E-01 712 0.165E+00 0.427E-01
DAV: 10 -0.904234337200E+02 0.52228E-02 -0.45300E-02 693 0.125E+00 0.316E-01
DAV: 11 -0.904271563241E+02 -0.37226E-02 -0.64774E-03 608 0.483E-01 0.144E-01
DAV: 12 -0.904306829446E+02 -0.35266E-02 -0.72675E-03 623 0.494E-01 0.131E-01
DAV: 13 -0.904333958796E+02 -0.27129E-02 -0.16190E-03 896 0.322E-01 0.762E-02
DAV: 14 -0.904364392509E+02 -0.30434E-02 -0.12918E-03 642 0.169E-01 0.586E-02
DAV: 15 -0.904384938998E+02 -0.20546E-02 -0.38390E-04 680 0.113E-01 0.447E-02
DAV: 16 -0.904399942724E+02 -0.15004E-02 -0.81015E-04 663 0.166E-01 0.362E-02
DAV: 17 -0.904407091000E+02 -0.71483E-03 -0.13793E-04 736 0.839E-02 0.239E-02
DAV: 18 -0.904409392702E+02 -0.23017E-03 -0.80435E-05 669 0.449E-02 0.890E-03
DAV: 19 -0.904411248980E+02 -0.18563E-03 -0.32971E-05 530 0.281E-02 0.527E-03
DAV: 20 -0.904411597934E+02 -0.34895E-04 -0.47372E-06 488 0.135E-02 0.670E-03
DAV: 21 -0.904412071395E+02 -0.47346E-04 -0.96273E-06 398 0.185E-02 0.426E-03
DAV: 22 -0.904412128447E+02 -0.57052E-05 -0.48607E-06 480 0.139E-02
1 F= -.90441213E+02 E0= -.90447215E+02 d E =0.180072E-01