./iterations/neb0_image03_iter105_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 0.367030567756E+03 0.36703E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.344108944050E+01 -0.36359E+03 -0.35020E+03 837 0.195E+02
DAV: 3 -0.955774543550E+02 -0.99019E+02 -0.98700E+02 664 0.116E+02
DAV: 4 -0.100183782150E+03 -0.46063E+01 -0.45966E+01 712 0.288E+01
DAV: 5 -0.100275222574E+03 -0.91440E-01 -0.91402E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916725467727E+02 0.86027E+01 -0.30664E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.908266375440E+02 0.84591E+00 -0.18293E+00 704 0.643E+00 0.483E+00
DAV: 8 -0.904236259649E+02 0.40301E+00 -0.56465E-01 680 0.439E+00 0.169E+00
DAV: 9 -0.903285283482E+02 0.95098E-01 -0.13487E-01 696 0.187E+00 0.469E-01
DAV: 10 -0.903195129865E+02 0.90154E-02 -0.39034E-02 728 0.102E+00 0.340E-01
DAV: 11 -0.903216850924E+02 -0.21721E-02 -0.64930E-03 720 0.587E-01 0.146E-01
DAV: 12 -0.903238986852E+02 -0.22136E-02 -0.40503E-03 618 0.337E-01 0.114E-01
DAV: 13 -0.903285741267E+02 -0.46754E-02 -0.28027E-03 656 0.303E-01 0.812E-02
DAV: 14 -0.903331300426E+02 -0.45559E-02 -0.97802E-04 653 0.170E-01 0.490E-02
DAV: 15 -0.903348172857E+02 -0.16872E-02 -0.32110E-04 696 0.103E-01 0.219E-02
DAV: 16 -0.903364426792E+02 -0.16254E-02 -0.13047E-04 661 0.529E-02 0.130E-02
DAV: 17 -0.903374099693E+02 -0.96729E-03 -0.86626E-05 608 0.409E-02 0.673E-03
DAV: 18 -0.903377196936E+02 -0.30972E-03 -0.33911E-05 600 0.236E-02 0.573E-03
DAV: 19 -0.903378274661E+02 -0.10777E-03 -0.14196E-05 520 0.294E-02 0.508E-03
DAV: 20 -0.903378670929E+02 -0.39627E-04 -0.63932E-06 464 0.158E-02 0.427E-03
DAV: 21 -0.903378850781E+02 -0.17985E-04 -0.43275E-06 456 0.124E-02 0.211E-03
DAV: 22 -0.903378941243E+02 -0.90463E-05 -0.24628E-06 442 0.903E-03
1 F= -.90337894E+02 E0= -.90346494E+02 d E =0.258008E-01