iterations/neb0_image05_iter50_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 0.373145396246E+03 0.37315E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.418841602417E+01 -0.36896E+03 -0.35704E+03 874 0.195E+02
DAV: 3 -0.937109934538E+02 -0.97899E+02 -0.97554E+02 640 0.116E+02
DAV: 4 -0.984302370658E+02 -0.47192E+01 -0.47053E+01 728 0.299E+01
DAV: 5 -0.985310177247E+02 -0.10078E+00 -0.10074E+00 712 0.389E+00 0.219E+01
DAV: 6 -0.902787636568E+02 0.82523E+01 -0.28836E+01 704 0.291E+01 0.113E+01
DAV: 7 -0.894328387794E+02 0.84592E+00 -0.17411E+00 720 0.650E+00 0.465E+00
DAV: 8 -0.890544051931E+02 0.37843E+00 -0.59735E-01 696 0.428E+00 0.158E+00
DAV: 9 -0.889680996616E+02 0.86306E-01 -0.12857E-01 712 0.160E+00 0.436E-01
DAV: 10 -0.889573655374E+02 0.10734E-01 -0.36563E-02 744 0.102E+00 0.302E-01
DAV: 11 -0.889596191150E+02 -0.22536E-02 -0.88242E-03 616 0.543E-01 0.123E-01
DAV: 12 -0.889620525473E+02 -0.24334E-02 -0.22337E-03 669 0.260E-01 0.968E-02
DAV: 13 -0.889673215186E+02 -0.52690E-02 -0.17525E-03 636 0.254E-01 0.727E-02
DAV: 14 -0.889698423072E+02 -0.25208E-02 -0.73727E-04 688 0.154E-01 0.324E-02
DAV: 15 -0.889725362994E+02 -0.26940E-02 -0.51736E-04 653 0.116E-01 0.316E-02
DAV: 16 -0.889737320546E+02 -0.11958E-02 -0.12512E-04 757 0.751E-02 0.144E-02
DAV: 17 -0.889748454871E+02 -0.11134E-02 -0.16761E-04 647 0.647E-02 0.151E-02
DAV: 18 -0.889750806717E+02 -0.23518E-03 -0.30116E-05 568 0.392E-02 0.973E-03
DAV: 19 -0.889752441199E+02 -0.16345E-03 -0.58827E-05 623 0.487E-02 0.111E-02
DAV: 20 -0.889753133494E+02 -0.69229E-04 -0.11078E-05 485 0.239E-02 0.842E-03
DAV: 21 -0.889753456201E+02 -0.32271E-04 -0.95545E-06 437 0.178E-02 0.347E-03
DAV: 22 -0.889753555637E+02 -0.99436E-05 -0.42572E-06 501 0.119E-02
1 F= -.88975356E+02 E0= -.88979228E+02 d E =0.116184E-01