iterations/neb0_image03_iter57_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 0.367766058981E+03 0.36777E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.389588484820E+01 -0.36387E+03 -0.35062E+03 845 0.195E+02
DAV: 3 -0.953501498041E+02 -0.99246E+02 -0.98915E+02 656 0.116E+02
DAV: 4 -0.100065073047E+03 -0.47149E+01 -0.47047E+01 704 0.294E+01
DAV: 5 -0.100157657201E+03 -0.92584E-01 -0.92543E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.915671832122E+02 0.85905E+01 -0.30675E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.907229153481E+02 0.84427E+00 -0.18595E+00 696 0.642E+00 0.483E+00
DAV: 8 -0.903176542982E+02 0.40526E+00 -0.57397E-01 704 0.437E+00 0.165E+00
DAV: 9 -0.902223810257E+02 0.95273E-01 -0.14348E-01 704 0.175E+00 0.436E-01
DAV: 10 -0.902142051497E+02 0.81759E-02 -0.48442E-02 704 0.119E+00 0.329E-01
DAV: 11 -0.902180436601E+02 -0.38385E-02 -0.80752E-03 616 0.520E-01 0.122E-01
DAV: 12 -0.902211917586E+02 -0.31481E-02 -0.52274E-03 631 0.347E-01 0.130E-01
DAV: 13 -0.902242305747E+02 -0.30388E-02 -0.16676E-03 848 0.336E-01 0.713E-02
DAV: 14 -0.902277230181E+02 -0.34924E-02 -0.12044E-03 626 0.174E-01 0.537E-02
DAV: 15 -0.902301484998E+02 -0.24255E-02 -0.34156E-04 688 0.982E-02 0.380E-02
DAV: 16 -0.902317545216E+02 -0.16060E-02 -0.59125E-04 669 0.131E-01 0.331E-02
DAV: 17 -0.902324286818E+02 -0.67416E-03 -0.11569E-04 800 0.753E-02 0.194E-02
DAV: 18 -0.902327800855E+02 -0.35140E-03 -0.10137E-04 661 0.622E-02 0.683E-03
DAV: 19 -0.902329433698E+02 -0.16328E-03 -0.17732E-05 498 0.260E-02 0.553E-03
DAV: 20 -0.902330088679E+02 -0.65498E-04 -0.10809E-05 464 0.193E-02 0.382E-03
DAV: 21 -0.902330534985E+02 -0.44631E-04 -0.17414E-05 461 0.273E-02 0.670E-03
DAV: 22 -0.902330540395E+02 -0.54102E-06 -0.85238E-06 496 0.248E-02
1 F= -.90233054E+02 E0= -.90239941E+02 d E =0.206621E-01