./iterations/neb0_image09_iter84_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 0.374653728870E+03 0.37465E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.251588048570E+01 -0.37214E+03 -0.35978E+03 877 0.196E+02
DAV: 3 -0.968615849452E+02 -0.99377E+02 -0.99039E+02 672 0.117E+02
DAV: 4 -0.101241289295E+03 -0.43797E+01 -0.43707E+01 696 0.280E+01
DAV: 5 -0.101327403350E+03 -0.86114E-01 -0.86076E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926706601962E+02 0.86567E+01 -0.30882E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918012357028E+02 0.86942E+00 -0.17134E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914234370314E+02 0.37780E+00 -0.54500E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913411663124E+02 0.82271E-01 -0.13124E-01 704 0.155E+00 0.425E-01
DAV: 10 -0.913322984237E+02 0.88679E-02 -0.46381E-02 768 0.113E+00 0.305E-01
DAV: 11 -0.913367698121E+02 -0.44714E-02 -0.13269E-02 613 0.601E-01 0.144E-01
DAV: 12 -0.913397396291E+02 -0.29698E-02 -0.30609E-03 623 0.243E-01 0.118E-01
DAV: 13 -0.913435792915E+02 -0.38397E-02 -0.17247E-03 725 0.229E-01 0.432E-02
DAV: 14 -0.913469033625E+02 -0.33241E-02 -0.53593E-04 664 0.121E-01 0.348E-02
DAV: 15 -0.913486034093E+02 -0.17000E-02 -0.15920E-04 696 0.718E-02 0.349E-02
DAV: 16 -0.913497973991E+02 -0.11940E-02 -0.36010E-04 658 0.939E-02 0.215E-02
DAV: 17 -0.913500271604E+02 -0.22976E-03 -0.58599E-05 696 0.548E-02 0.116E-02
DAV: 18 -0.913502893942E+02 -0.26223E-03 -0.46326E-05 558 0.292E-02 0.105E-02
DAV: 19 -0.913503355387E+02 -0.46144E-04 -0.59921E-06 496 0.177E-02 0.490E-03
DAV: 20 -0.913503742053E+02 -0.38667E-04 -0.15596E-05 413 0.243E-02 0.449E-03
DAV: 21 -0.913503879857E+02 -0.13780E-04 -0.28402E-06 472 0.952E-03 0.386E-03
DAV: 22 -0.913503945302E+02 -0.65445E-05 -0.23474E-06 409 0.102E-02
1 F= -.91350395E+02 E0= -.91355138E+02 d E =0.142298E-01