iterations/neb0_image08_iter218_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 0.373422822093E+03 0.37342E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.263051811785E+01 -0.37079E+03 -0.35910E+03 877 0.196E+02
DAV: 3 -0.966346943604E+02 -0.99265E+02 -0.98963E+02 656 0.116E+02
DAV: 4 -0.101213469251E+03 -0.45788E+01 -0.45666E+01 728 0.289E+01
DAV: 5 -0.101303873805E+03 -0.90405E-01 -0.90355E-01 728 0.367E+00 0.227E+01
DAV: 6 -0.926429340996E+02 0.86609E+01 -0.30995E+01 714 0.300E+01 0.118E+01
DAV: 7 -0.917874195183E+02 0.85551E+00 -0.17245E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914141168242E+02 0.37330E+00 -0.54419E-01 720 0.395E+00 0.161E+00
DAV: 9 -0.913343193802E+02 0.79797E-01 -0.13034E-01 728 0.154E+00 0.418E-01
DAV: 10 -0.913264593311E+02 0.78600E-02 -0.43736E-02 752 0.106E+00 0.298E-01
DAV: 11 -0.913313024534E+02 -0.48431E-02 -0.12790E-02 608 0.587E-01 0.143E-01
DAV: 12 -0.913342620097E+02 -0.29596E-02 -0.26117E-03 628 0.224E-01 0.110E-01
DAV: 13 -0.913379254584E+02 -0.36634E-02 -0.22364E-03 639 0.245E-01 0.491E-02
DAV: 14 -0.913410260393E+02 -0.31006E-02 -0.68352E-04 653 0.157E-01 0.253E-02
DAV: 15 -0.913423685196E+02 -0.13425E-02 -0.14981E-04 680 0.663E-02 0.225E-02
DAV: 16 -0.913433637614E+02 -0.99524E-03 -0.15499E-04 642 0.736E-02 0.115E-02
DAV: 17 -0.913438980498E+02 -0.53429E-03 -0.46224E-05 600 0.341E-02 0.124E-02
DAV: 18 -0.913441055229E+02 -0.20747E-03 -0.34294E-05 648 0.328E-02 0.578E-03
DAV: 19 -0.913441935688E+02 -0.88046E-04 -0.10872E-05 442 0.161E-02 0.275E-03
DAV: 20 -0.913442126527E+02 -0.19084E-04 -0.30803E-06 504 0.739E-03 0.221E-03
DAV: 21 -0.913442244441E+02 -0.11791E-04 -0.15733E-06 406 0.683E-03 0.951E-04
DAV: 22 -0.913442283747E+02 -0.39306E-05 -0.12331E-06 445 0.489E-03
1 F= -.91344228E+02 E0= -.91349047E+02 d E =0.144561E-01