./iterations/neb0_image01_iter284_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 0.362741581687E+03 0.36274E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.300763137757E+01 -0.35973E+03 -0.34745E+03 828 0.195E+02
DAV: 3 -0.955997126918E+02 -0.98607E+02 -0.98266E+02 661 0.115E+02
DAV: 4 -0.100211668783E+03 -0.46120E+01 -0.45995E+01 696 0.287E+01
DAV: 5 -0.100300576902E+03 -0.88908E-01 -0.88863E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916956272408E+02 0.86049E+01 -0.30928E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908918984667E+02 0.80373E+00 -0.18490E+00 720 0.639E+00 0.483E+00
DAV: 8 -0.905139220141E+02 0.37798E+00 -0.55195E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904280102829E+02 0.85912E-01 -0.13661E-01 720 0.165E+00 0.428E-01
DAV: 10 -0.904227458442E+02 0.52644E-02 -0.45286E-02 693 0.125E+00 0.316E-01
DAV: 11 -0.904264554025E+02 -0.37096E-02 -0.64534E-03 608 0.482E-01 0.144E-01
DAV: 12 -0.904299816664E+02 -0.35263E-02 -0.72864E-03 620 0.495E-01 0.131E-01
DAV: 13 -0.904327132890E+02 -0.27316E-02 -0.16323E-03 904 0.323E-01 0.762E-02
DAV: 14 -0.904357551235E+02 -0.30418E-02 -0.12782E-03 642 0.168E-01 0.584E-02
DAV: 15 -0.904378173765E+02 -0.20623E-02 -0.38516E-04 680 0.112E-01 0.443E-02
DAV: 16 -0.904393262266E+02 -0.15089E-02 -0.80411E-04 666 0.165E-01 0.362E-02
DAV: 17 -0.904400380682E+02 -0.71184E-03 -0.13753E-04 736 0.837E-02 0.236E-02
DAV: 18 -0.904402733927E+02 -0.23532E-03 -0.81609E-05 669 0.451E-02 0.865E-03
DAV: 19 -0.904404527292E+02 -0.17934E-03 -0.31140E-05 514 0.275E-02 0.529E-03
DAV: 20 -0.904404897947E+02 -0.37065E-04 -0.49815E-06 488 0.131E-02 0.670E-03
DAV: 21 -0.904405364961E+02 -0.46701E-04 -0.94748E-06 401 0.185E-02 0.398E-03
DAV: 22 -0.904405418379E+02 -0.53418E-05 -0.49761E-06 480 0.137E-02
1 F= -.90440542E+02 E0= -.90446618E+02 d E =0.182270E-01