./iterations/neb0_image04_iter36_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 0.372500377500E+03 0.37250E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.478657606262E+01 -0.36771E+03 -0.35583E+03 869 0.195E+02
DAV: 3 -0.948891739484E+02 -0.99676E+02 -0.99324E+02 653 0.116E+02
DAV: 4 -0.995017672909E+02 -0.46126E+01 -0.45974E+01 720 0.294E+01
DAV: 5 -0.995893686490E+02 -0.87601E-01 -0.87567E-01 728 0.369E+00 0.224E+01
DAV: 6 -0.909486198788E+02 0.86407E+01 -0.30218E+01 698 0.297E+01 0.117E+01
DAV: 7 -0.900814223278E+02 0.86720E+00 -0.17939E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.896805091301E+02 0.40091E+00 -0.56692E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.895851059724E+02 0.95403E-01 -0.14506E-01 720 0.172E+00 0.439E-01
DAV: 10 -0.895758710650E+02 0.92349E-02 -0.40663E-02 744 0.107E+00 0.319E-01
DAV: 11 -0.895800850524E+02 -0.42140E-02 -0.10907E-02 621 0.586E-01 0.137E-01
DAV: 12 -0.895818034401E+02 -0.17184E-02 -0.22867E-03 672 0.247E-01 0.107E-01
DAV: 13 -0.895873331286E+02 -0.55297E-02 -0.35600E-03 724 0.401E-01 0.835E-02
DAV: 14 -0.895891017009E+02 -0.17686E-02 -0.66464E-04 768 0.173E-01 0.511E-02
DAV: 15 -0.895915551968E+02 -0.24535E-02 -0.89208E-04 657 0.173E-01 0.310E-02
DAV: 16 -0.895928621755E+02 -0.13070E-02 -0.11339E-04 690 0.588E-02 0.266E-02
DAV: 17 -0.895940275338E+02 -0.11654E-02 -0.20871E-04 669 0.809E-02 0.100E-02
DAV: 18 -0.895943193473E+02 -0.29181E-03 -0.42533E-05 688 0.331E-02 0.116E-02
DAV: 19 -0.895944772558E+02 -0.15791E-03 -0.14713E-05 450 0.245E-02 0.567E-03
DAV: 20 -0.895945855814E+02 -0.10833E-03 -0.37657E-05 607 0.337E-02 0.833E-03
DAV: 21 -0.895946022927E+02 -0.16711E-04 -0.47226E-06 504 0.215E-02 0.340E-03
DAV: 22 -0.895946137369E+02 -0.11444E-04 -0.86300E-06 415 0.160E-02 0.241E-03
DAV: 23 -0.895946211523E+02 -0.74153E-05 -0.11855E-06 447 0.595E-03
1 F= -.89594621E+02 E0= -.89602855E+02 d E =0.247009E-01