./iterations/neb0_image07_iter265_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 0.371507731905E+03 0.37151E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.369851602817E+01 -0.36781E+03 -0.35632E+03 869 0.194E+02
DAV: 3 -0.964819398503E+02 -0.10018E+03 -0.99861E+02 672 0.116E+02
DAV: 4 -0.101182951878E+03 -0.47010E+01 -0.46897E+01 712 0.292E+01
DAV: 5 -0.101275427648E+03 -0.92476E-01 -0.92433E-01 728 0.372E+00 0.227E+01
DAV: 6 -0.926234973126E+02 0.86519E+01 -0.30954E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917666017596E+02 0.85690E+00 -0.17144E+00 736 0.615E+00 0.480E+00
DAV: 8 -0.913905972952E+02 0.37600E+00 -0.54224E-01 736 0.397E+00 0.162E+00
DAV: 9 -0.913076551764E+02 0.82942E-01 -0.12845E-01 720 0.153E+00 0.421E-01
DAV: 10 -0.912984341992E+02 0.92210E-02 -0.43691E-02 741 0.105E+00 0.298E-01
DAV: 11 -0.913032963174E+02 -0.48621E-02 -0.13941E-02 608 0.603E-01 0.160E-01
DAV: 12 -0.913061692628E+02 -0.28729E-02 -0.28048E-03 626 0.247E-01 0.100E-01
DAV: 13 -0.913099304631E+02 -0.37612E-02 -0.19580E-03 641 0.221E-01 0.502E-02
DAV: 14 -0.913135730317E+02 -0.36426E-02 -0.10849E-03 682 0.219E-01 0.442E-02
DAV: 15 -0.913148100144E+02 -0.12370E-02 -0.31834E-04 680 0.102E-01 0.316E-02
DAV: 16 -0.913154376256E+02 -0.62761E-03 -0.16124E-04 741 0.816E-02 0.107E-02
DAV: 17 -0.913163612624E+02 -0.92364E-03 -0.11268E-04 644 0.501E-02 0.147E-02
DAV: 18 -0.913165521104E+02 -0.19085E-03 -0.10547E-05 496 0.182E-02 0.107E-02
DAV: 19 -0.913167214355E+02 -0.16933E-03 -0.49444E-05 609 0.394E-02 0.545E-03
DAV: 20 -0.913167289810E+02 -0.75455E-05 -0.39887E-06 536 0.128E-02
1 F= -.91316729E+02 E0= -.91321238E+02 d E =0.135258E-01