./iterations/neb0_image07_iter220_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 0.371539408401E+03 0.37154E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.378303953789E+01 -0.36776E+03 -0.35574E+03 869 0.194E+02
DAV: 3 -0.965711516273E+02 -0.10035E+03 -0.10005E+03 688 0.116E+02
DAV: 4 -0.101115521002E+03 -0.45444E+01 -0.45327E+01 696 0.281E+01
DAV: 5 -0.101206522623E+03 -0.91002E-01 -0.90946E-01 736 0.358E+00 0.227E+01
DAV: 6 -0.925880390818E+02 0.86185E+01 -0.30666E+01 722 0.299E+01 0.119E+01
DAV: 7 -0.917340228863E+02 0.85402E+00 -0.17402E+00 712 0.619E+00 0.480E+00
DAV: 8 -0.913609595543E+02 0.37306E+00 -0.54409E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912803502787E+02 0.80609E-01 -0.13102E-01 720 0.157E+00 0.421E-01
DAV: 10 -0.912717398818E+02 0.86104E-02 -0.40201E-02 760 0.104E+00 0.287E-01
DAV: 11 -0.912759236661E+02 -0.41838E-02 -0.10682E-02 616 0.540E-01 0.134E-01
DAV: 12 -0.912789517269E+02 -0.30281E-02 -0.25101E-03 624 0.270E-01 0.876E-02
DAV: 13 -0.912827457456E+02 -0.37940E-02 -0.13445E-03 642 0.174E-01 0.575E-02
DAV: 14 -0.912859732934E+02 -0.32275E-02 -0.10071E-03 805 0.243E-01 0.483E-02
DAV: 15 -0.912872978490E+02 -0.13246E-02 -0.37053E-04 672 0.120E-01 0.380E-02
DAV: 16 -0.912884418282E+02 -0.11440E-02 -0.21549E-04 744 0.777E-02 0.146E-02
DAV: 17 -0.912892587331E+02 -0.81690E-03 -0.10860E-04 712 0.510E-02 0.126E-02
DAV: 18 -0.912895467289E+02 -0.28800E-03 -0.24573E-05 552 0.285E-02 0.609E-03
DAV: 19 -0.912896645155E+02 -0.11779E-03 -0.23839E-05 536 0.237E-02 0.443E-03
DAV: 20 -0.912896783326E+02 -0.13817E-04 -0.18057E-06 536 0.111E-02 0.225E-03
DAV: 21 -0.912897034260E+02 -0.25093E-04 -0.59261E-06 417 0.144E-02 0.246E-03
DAV: 22 -0.912897076228E+02 -0.41969E-05 -0.98086E-07 488 0.832E-03
1 F= -.91289708E+02 E0= -.91294721E+02 d E =0.150395E-01