iterations/neb0_image05_iter161_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 0.367400649267E+03 0.36740E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.177907701487E+01 -0.36562E+03 -0.35239E+03 869 0.193E+02
DAV: 3 -0.953045131126E+02 -0.97084E+02 -0.96748E+02 648 0.115E+02
DAV: 4 -0.998663224936E+02 -0.45618E+01 -0.45518E+01 728 0.290E+01
DAV: 5 -0.999571199451E+02 -0.90797E-01 -0.90761E-01 728 0.366E+00 0.221E+01
DAV: 6 -0.914999592874E+02 0.84572E+01 -0.30184E+01 672 0.296E+01 0.117E+01
DAV: 7 -0.906972503100E+02 0.80271E+00 -0.18123E+00 728 0.636E+00 0.480E+00
DAV: 8 -0.903184308961E+02 0.37882E+00 -0.53820E-01 720 0.427E+00 0.169E+00
DAV: 9 -0.902292936988E+02 0.89137E-01 -0.13964E-01 720 0.168E+00 0.450E-01
DAV: 10 -0.902213607716E+02 0.79329E-02 -0.45046E-02 760 0.134E+00 0.333E-01
DAV: 11 -0.902233334068E+02 -0.19726E-02 -0.57858E-03 640 0.523E-01 0.180E-01
DAV: 12 -0.902259405713E+02 -0.26072E-02 -0.83186E-03 616 0.480E-01 0.126E-01
DAV: 13 -0.902289336943E+02 -0.29931E-02 -0.11432E-03 714 0.271E-01 0.776E-02
DAV: 14 -0.902325237149E+02 -0.35900E-02 -0.17480E-03 633 0.192E-01 0.550E-02
DAV: 15 -0.902354505969E+02 -0.29269E-02 -0.33250E-04 701 0.969E-02 0.351E-02
DAV: 16 -0.902371798435E+02 -0.17292E-02 -0.47446E-04 688 0.118E-01 0.288E-02
DAV: 17 -0.902378944922E+02 -0.71465E-03 -0.11600E-04 837 0.769E-02 0.155E-02
DAV: 18 -0.902382871813E+02 -0.39269E-03 -0.59197E-05 664 0.349E-02 0.115E-02
DAV: 19 -0.902384235357E+02 -0.13635E-03 -0.16356E-05 488 0.223E-02 0.388E-03
DAV: 20 -0.902385377487E+02 -0.11421E-03 -0.17882E-05 487 0.183E-02 0.313E-03
DAV: 21 -0.902385547091E+02 -0.16960E-04 -0.14815E-06 504 0.796E-03 0.242E-03
DAV: 22 -0.902385714291E+02 -0.16720E-04 -0.45189E-06 417 0.141E-02 0.310E-03
DAV: 23 -0.902385745137E+02 -0.30845E-05 -0.92979E-07 496 0.893E-03
1 F= -.90238575E+02 E0= -.90246819E+02 d E =0.247333E-01