./iterations/neb0_image05_iter205_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 0.366454528244E+03 0.36645E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.431010946689E+01 -0.36214E+03 -0.34864E+03 848 0.195E+02
DAV: 3 -0.953388629263E+02 -0.99649E+02 -0.99310E+02 685 0.116E+02
DAV: 4 -0.998024289261E+02 -0.44636E+01 -0.44533E+01 712 0.279E+01
DAV: 5 -0.998900809298E+02 -0.87652E-01 -0.87609E-01 728 0.349E+00 0.220E+01
DAV: 6 -0.914725809586E+02 0.84175E+01 -0.30497E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.906890027170E+02 0.78358E+00 -0.17662E+00 720 0.641E+00 0.481E+00
DAV: 8 -0.903191746305E+02 0.36983E+00 -0.53311E-01 720 0.430E+00 0.168E+00
DAV: 9 -0.902341949329E+02 0.84980E-01 -0.14131E-01 720 0.173E+00 0.450E-01
DAV: 10 -0.902274428578E+02 0.67521E-02 -0.35271E-02 792 0.116E+00 0.300E-01
DAV: 11 -0.902300803665E+02 -0.26375E-02 -0.59961E-03 624 0.495E-01 0.156E-01
DAV: 12 -0.902324275378E+02 -0.23472E-02 -0.47475E-03 624 0.450E-01 0.102E-01
DAV: 13 -0.902358615565E+02 -0.34340E-02 -0.11261E-03 639 0.221E-01 0.785E-02
DAV: 14 -0.902391435535E+02 -0.32820E-02 -0.13805E-03 652 0.180E-01 0.457E-02
DAV: 15 -0.902418343868E+02 -0.26908E-02 -0.48495E-04 760 0.155E-01 0.307E-02
DAV: 16 -0.902431301734E+02 -0.12958E-02 -0.32228E-04 688 0.865E-02 0.306E-02
DAV: 17 -0.902437855477E+02 -0.65537E-03 -0.17982E-04 800 0.975E-02 0.138E-02
DAV: 18 -0.902439913291E+02 -0.20578E-03 -0.64643E-05 672 0.427E-02 0.142E-02
DAV: 19 -0.902441753298E+02 -0.18400E-03 -0.30450E-05 535 0.303E-02 0.841E-03
DAV: 20 -0.902442304808E+02 -0.55151E-04 -0.11092E-05 472 0.230E-02 0.364E-03
DAV: 21 -0.902442524456E+02 -0.21965E-04 -0.54751E-06 469 0.131E-02 0.162E-03
DAV: 22 -0.902442734542E+02 -0.21009E-04 -0.30194E-06 431 0.713E-03 0.168E-03
DAV: 23 -0.902442783818E+02 -0.49276E-05 -0.82205E-07 480 0.404E-03
1 F= -.90244278E+02 E0= -.90253026E+02 d E =0.262427E-01