./iterations/neb0_image05_iter22_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 0.362185975529E+03 0.36219E+03 -0.14256E+04 632 0.799E+02
DAV: 2 0.490066316757E+01 -0.35729E+03 -0.34519E+03 861 0.193E+02
DAV: 3 -0.924410820885E+02 -0.97342E+02 -0.96834E+02 664 0.115E+02
DAV: 4 -0.971431201557E+02 -0.47020E+01 -0.46857E+01 720 0.288E+01
DAV: 5 -0.972440483693E+02 -0.10093E+00 -0.10087E+00 720 0.375E+00 0.212E+01
DAV: 6 -0.890535008121E+02 0.81905E+01 -0.30582E+01 696 0.298E+01 0.109E+01
DAV: 7 -0.883470629884E+02 0.70644E+00 -0.15698E+00 736 0.673E+00 0.470E+00
DAV: 8 -0.880003641221E+02 0.34670E+00 -0.64142E-01 704 0.443E+00 0.167E+00
DAV: 9 -0.879210641510E+02 0.79300E-01 -0.13534E-01 736 0.183E+00 0.469E-01
DAV: 10 -0.879129199915E+02 0.81442E-02 -0.20746E-02 736 0.774E-01 0.292E-01
DAV: 11 -0.879154588410E+02 -0.25388E-02 -0.15697E-02 605 0.813E-01 0.176E-01
DAV: 12 -0.879168560336E+02 -0.13972E-02 -0.27920E-03 728 0.404E-01 0.113E-01
DAV: 13 -0.879211953930E+02 -0.43394E-02 -0.47917E-03 609 0.413E-01 0.109E-01
DAV: 14 -0.879236633410E+02 -0.24679E-02 -0.11064E-03 797 0.237E-01 0.551E-02
DAV: 15 -0.879258446459E+02 -0.21813E-02 -0.13762E-03 701 0.244E-01 0.581E-02
DAV: 16 -0.879272961126E+02 -0.14515E-02 -0.41322E-04 877 0.153E-01 0.298E-02
DAV: 17 -0.879278352174E+02 -0.53910E-03 -0.17757E-04 720 0.798E-02 0.153E-02
DAV: 18 -0.879285974024E+02 -0.76218E-03 -0.94402E-05 641 0.460E-02 0.825E-03
DAV: 19 -0.879289184048E+02 -0.32100E-03 -0.24415E-05 565 0.213E-02 0.523E-03
DAV: 20 -0.879290637940E+02 -0.14539E-03 -0.17512E-05 498 0.184E-02 0.233E-03
DAV: 21 -0.879291042331E+02 -0.40439E-04 -0.43853E-06 488 0.964E-03 0.193E-03
DAV: 22 -0.879291160172E+02 -0.11784E-04 -0.16370E-06 436 0.567E-03 0.917E-04
DAV: 23 -0.879291219155E+02 -0.58984E-05 -0.15038E-06 439 0.674E-03
1 F= -.87929122E+02 E0= -.87933002E+02 d E =0.116408E-01