./iterations/neb0_image09_iter166_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 0.374099763941E+03 0.37410E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.326236378611E+01 -0.37084E+03 -0.35805E+03 869 0.196E+02
DAV: 3 -0.968083802644E+02 -0.10007E+03 -0.99743E+02 669 0.117E+02
DAV: 4 -0.101264552029E+03 -0.44562E+01 -0.44458E+01 720 0.283E+01
DAV: 5 -0.101351263657E+03 -0.86712E-01 -0.86672E-01 720 0.359E+00 0.227E+01
DAV: 6 -0.926792359263E+02 0.86720E+01 -0.30992E+01 714 0.301E+01 0.119E+01
DAV: 7 -0.918090830449E+02 0.87015E+00 -0.17216E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914327506836E+02 0.37633E+00 -0.54298E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913510255101E+02 0.81725E-01 -0.13162E-01 712 0.156E+00 0.424E-01
DAV: 10 -0.913427216913E+02 0.83038E-02 -0.44448E-02 784 0.111E+00 0.299E-01
DAV: 11 -0.913470882045E+02 -0.43665E-02 -0.12003E-02 616 0.574E-01 0.133E-01
DAV: 12 -0.913501690041E+02 -0.30808E-02 -0.27894E-03 634 0.241E-01 0.111E-01
DAV: 13 -0.913538341756E+02 -0.36652E-02 -0.14807E-03 677 0.208E-01 0.430E-02
DAV: 14 -0.913570836669E+02 -0.32495E-02 -0.60738E-04 664 0.140E-01 0.328E-02
DAV: 15 -0.913585226391E+02 -0.14390E-02 -0.13530E-04 712 0.727E-02 0.323E-02
DAV: 16 -0.913599309323E+02 -0.14083E-02 -0.33385E-04 645 0.927E-02 0.182E-02
DAV: 17 -0.913602618118E+02 -0.33088E-03 -0.54859E-05 688 0.550E-02 0.118E-02
DAV: 18 -0.913604868267E+02 -0.22501E-03 -0.39720E-05 568 0.291E-02 0.101E-02
DAV: 19 -0.913605745888E+02 -0.87762E-04 -0.93711E-06 488 0.188E-02 0.480E-03
DAV: 20 -0.913606079500E+02 -0.33361E-04 -0.11266E-05 440 0.216E-02 0.275E-03
DAV: 21 -0.913606251197E+02 -0.17170E-04 -0.30836E-06 453 0.893E-03 0.284E-03
DAV: 22 -0.913606315722E+02 -0.64525E-05 -0.97882E-07 442 0.566E-03
1 F= -.91360632E+02 E0= -.91365494E+02 d E =0.145878E-01