iterations/neb0_image09_iter86_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 0.374593461399E+03 0.37459E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.251130018334E+01 -0.37208E+03 -0.35973E+03 877 0.196E+02
DAV: 3 -0.968549554669E+02 -0.99366E+02 -0.99028E+02 672 0.117E+02
DAV: 4 -0.101235502238E+03 -0.43805E+01 -0.43715E+01 696 0.281E+01
DAV: 5 -0.101321681514E+03 -0.86179E-01 -0.86142E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926693299825E+02 0.86524E+01 -0.30880E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918011924613E+02 0.86814E+00 -0.17120E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914237723960E+02 0.37742E+00 -0.54536E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913415794203E+02 0.82193E-01 -0.13091E-01 701 0.155E+00 0.424E-01
DAV: 10 -0.913327175734E+02 0.88618E-02 -0.46087E-02 768 0.113E+00 0.304E-01
DAV: 11 -0.913372022846E+02 -0.44847E-02 -0.13070E-02 610 0.596E-01 0.143E-01
DAV: 12 -0.913401930438E+02 -0.29908E-02 -0.30520E-03 623 0.243E-01 0.117E-01
DAV: 13 -0.913440013747E+02 -0.38083E-02 -0.16538E-03 725 0.225E-01 0.429E-02
DAV: 14 -0.913473534322E+02 -0.33521E-02 -0.55424E-04 664 0.123E-01 0.354E-02
DAV: 15 -0.913490047623E+02 -0.16513E-02 -0.15983E-04 704 0.738E-02 0.354E-02
DAV: 16 -0.913502068805E+02 -0.12021E-02 -0.35863E-04 658 0.935E-02 0.212E-02
DAV: 17 -0.913504561288E+02 -0.24925E-03 -0.66729E-05 720 0.586E-02 0.118E-02
DAV: 18 -0.913507097424E+02 -0.25361E-03 -0.41700E-05 556 0.270E-02 0.105E-02
DAV: 19 -0.913507591266E+02 -0.49384E-04 -0.74608E-06 496 0.180E-02 0.432E-03
DAV: 20 -0.913507967187E+02 -0.37592E-04 -0.12216E-05 410 0.210E-02 0.373E-03
DAV: 21 -0.913508086601E+02 -0.11941E-04 -0.24387E-06 472 0.815E-03 0.350E-03
DAV: 22 -0.913508155266E+02 -0.68665E-05 -0.17419E-06 401 0.924E-03
1 F= -.91350816E+02 E0= -.91355604E+02 d E =0.143663E-01