iterations/neb0_image02_iter75_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 0.368088635880E+03 0.36809E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.465315369609E+01 -0.36344E+03 -0.34875E+03 834 0.195E+02
DAV: 3 -0.956972156935E+02 -0.10035E+03 -0.10002E+03 688 0.116E+02
DAV: 4 -0.100175714435E+03 -0.44785E+01 -0.44684E+01 688 0.279E+01
DAV: 5 -0.100262902388E+03 -0.87188E-01 -0.87144E-01 736 0.349E+00 0.222E+01
DAV: 6 -0.916571470701E+02 0.86058E+01 -0.30966E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908320635919E+02 0.82508E+00 -0.18213E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904439173288E+02 0.38815E+00 -0.56153E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903536503948E+02 0.90267E-01 -0.13942E-01 704 0.165E+00 0.433E-01
DAV: 10 -0.903471558311E+02 0.64946E-02 -0.47118E-02 720 0.127E+00 0.322E-01
DAV: 11 -0.903508264707E+02 -0.36706E-02 -0.71855E-03 608 0.482E-01 0.148E-01
DAV: 12 -0.903542132042E+02 -0.33867E-02 -0.70799E-03 618 0.468E-01 0.130E-01
DAV: 13 -0.903570318851E+02 -0.28187E-02 -0.13993E-03 968 0.320E-01 0.802E-02
DAV: 14 -0.903600887045E+02 -0.30568E-02 -0.13435E-03 637 0.173E-01 0.546E-02
DAV: 15 -0.903625229289E+02 -0.24342E-02 -0.40369E-04 677 0.112E-01 0.414E-02
DAV: 16 -0.903639165206E+02 -0.13936E-02 -0.55915E-04 656 0.131E-01 0.301E-02
DAV: 17 -0.903647964923E+02 -0.87997E-03 -0.17190E-04 818 0.880E-02 0.170E-02
DAV: 18 -0.903649424665E+02 -0.14597E-03 -0.35089E-05 656 0.313E-02 0.985E-03
DAV: 19 -0.903651310488E+02 -0.18858E-03 -0.34159E-05 553 0.277E-02 0.382E-03
DAV: 20 -0.903651624749E+02 -0.31426E-04 -0.22637E-06 480 0.859E-03 0.401E-03
DAV: 21 -0.903652100257E+02 -0.47551E-04 -0.61642E-06 403 0.133E-02 0.263E-03
DAV: 22 -0.903652200426E+02 -0.10017E-04 -0.27535E-06 477 0.795E-03 0.206E-03
DAV: 23 -0.903652219986E+02 -0.19560E-05 -0.10359E-06 512 0.653E-03
1 F= -.90365222E+02 E0= -.90370965E+02 d E =0.172302E-01