./iterations/neb0_image06_iter27_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 0.368517461649E+03 0.36852E+03 -0.14277E+04 632 0.799E+02
DAV: 2 0.371798313166E+01 -0.36480E+03 -0.35124E+03 869 0.194E+02
DAV: 3 -0.947001174475E+02 -0.98418E+02 -0.98035E+02 664 0.115E+02
DAV: 4 -0.991798144130E+02 -0.44797E+01 -0.44675E+01 704 0.284E+01
DAV: 5 -0.992722146381E+02 -0.92400E-01 -0.92370E-01 736 0.362E+00 0.220E+01
DAV: 6 -0.906963487596E+02 0.85759E+01 -0.30841E+01 709 0.303E+01 0.114E+01
DAV: 7 -0.898728391193E+02 0.82351E+00 -0.16340E+00 720 0.668E+00 0.476E+00
DAV: 8 -0.894982768023E+02 0.37456E+00 -0.56787E-01 696 0.417E+00 0.169E+00
DAV: 9 -0.894125302158E+02 0.85747E-01 -0.14152E-01 717 0.182E+00 0.497E-01
DAV: 10 -0.894025094007E+02 0.10021E-01 -0.20601E-02 856 0.940E-01 0.290E-01
DAV: 11 -0.894033363786E+02 -0.82698E-03 -0.98720E-03 637 0.481E-01 0.161E-01
DAV: 12 -0.894061086215E+02 -0.27722E-02 -0.25906E-03 660 0.344E-01 0.103E-01
DAV: 13 -0.894104124577E+02 -0.43038E-02 -0.19607E-03 628 0.245E-01 0.100E-01
DAV: 14 -0.894132638772E+02 -0.28514E-02 -0.81106E-04 661 0.146E-01 0.380E-02
DAV: 15 -0.894161915247E+02 -0.29276E-02 -0.73100E-04 674 0.132E-01 0.462E-02
DAV: 16 -0.894179495302E+02 -0.17580E-02 -0.48555E-04 693 0.120E-01 0.187E-02
DAV: 17 -0.894188319870E+02 -0.88246E-03 -0.10344E-04 666 0.495E-02 0.100E-02
DAV: 18 -0.894191694408E+02 -0.33745E-03 -0.35468E-05 613 0.220E-02 0.501E-03
DAV: 19 -0.894193030781E+02 -0.13364E-03 -0.97696E-06 450 0.117E-02 0.246E-03
DAV: 20 -0.894193468864E+02 -0.43808E-04 -0.55495E-06 463 0.819E-03 0.120E-03
DAV: 21 -0.894193617037E+02 -0.14817E-04 -0.20772E-06 431 0.456E-03 0.124E-03
DAV: 22 -0.894193662052E+02 -0.45015E-05 -0.83335E-07 466 0.317E-03
1 F= -.89419366E+02 E0= -.89429330E+02 d E =0.298920E-01