./iterations/neb0_image08_iter183_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 0.374244920878E+03 0.37424E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.357954576648E+01 -0.37067E+03 -0.35847E+03 863 0.196E+02
DAV: 3 -0.966653573210E+02 -0.10024E+03 -0.99939E+02 669 0.117E+02
DAV: 4 -0.101262345947E+03 -0.45970E+01 -0.45849E+01 712 0.287E+01
DAV: 5 -0.101353489581E+03 -0.91144E-01 -0.91087E-01 712 0.365E+00 0.227E+01
DAV: 6 -0.926642172498E+02 0.86893E+01 -0.30905E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.917896905568E+02 0.87453E+00 -0.17299E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914140334692E+02 0.37566E+00 -0.54823E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913344828041E+02 0.79551E-01 -0.13019E-01 728 0.154E+00 0.420E-01
DAV: 10 -0.913264140939E+02 0.80687E-02 -0.43824E-02 736 0.109E+00 0.300E-01
DAV: 11 -0.913311582757E+02 -0.47442E-02 -0.12915E-02 608 0.589E-01 0.144E-01
DAV: 12 -0.913341680031E+02 -0.30097E-02 -0.27575E-03 630 0.249E-01 0.101E-01
DAV: 13 -0.913374922693E+02 -0.33243E-02 -0.14363E-03 634 0.196E-01 0.448E-02
DAV: 14 -0.913411112014E+02 -0.36189E-02 -0.10195E-03 746 0.214E-01 0.441E-02
DAV: 15 -0.913418899287E+02 -0.77873E-03 -0.23837E-04 712 0.104E-01 0.344E-02
DAV: 16 -0.913428874370E+02 -0.99751E-03 -0.23759E-04 701 0.873E-02 0.125E-02
DAV: 17 -0.913437202897E+02 -0.83285E-03 -0.82675E-05 656 0.411E-02 0.134E-02
DAV: 18 -0.913440305884E+02 -0.31030E-03 -0.39102E-05 608 0.287E-02 0.951E-03
DAV: 19 -0.913441193826E+02 -0.88794E-04 -0.27420E-05 600 0.296E-02 0.603E-03
DAV: 20 -0.913441446619E+02 -0.25279E-04 -0.36987E-06 458 0.128E-02 0.432E-03
DAV: 21 -0.913441573557E+02 -0.12694E-04 -0.33834E-06 434 0.102E-02 0.156E-03
DAV: 22 -0.913441650372E+02 -0.76815E-05 -0.14030E-06 420 0.577E-03
1 F= -.91344165E+02 E0= -.91349298E+02 d E =0.154002E-01