./iterations/neb0_image08_iter143_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 0.375177518945E+03 0.37518E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.359277585993E+01 -0.37158E+03 -0.35929E+03 866 0.196E+02
DAV: 3 -0.967426012880E+02 -0.10034E+03 -0.10002E+03 669 0.117E+02
DAV: 4 -0.101256976504E+03 -0.45144E+01 -0.45029E+01 728 0.284E+01
DAV: 5 -0.101345514274E+03 -0.88538E-01 -0.88502E-01 712 0.359E+00 0.228E+01
DAV: 6 -0.926540464252E+02 0.86915E+01 -0.30856E+01 698 0.301E+01 0.119E+01
DAV: 7 -0.917755699251E+02 0.87848E+00 -0.17295E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913956206097E+02 0.37995E+00 -0.55566E-01 720 0.400E+00 0.161E+00
DAV: 9 -0.913151255591E+02 0.80495E-01 -0.13210E-01 704 0.157E+00 0.423E-01
DAV: 10 -0.913068452210E+02 0.82803E-02 -0.45117E-02 776 0.111E+00 0.302E-01
DAV: 11 -0.913113132059E+02 -0.44680E-02 -0.12103E-02 608 0.577E-01 0.134E-01
DAV: 12 -0.913143897942E+02 -0.30766E-02 -0.28121E-03 628 0.258E-01 0.104E-01
DAV: 13 -0.913177773206E+02 -0.33875E-02 -0.10496E-03 653 0.173E-01 0.505E-02
DAV: 14 -0.913211202920E+02 -0.33430E-02 -0.88744E-04 656 0.174E-01 0.380E-02
DAV: 15 -0.913225040262E+02 -0.13837E-02 -0.19405E-04 768 0.918E-02 0.379E-02
DAV: 16 -0.913239121216E+02 -0.14081E-02 -0.33971E-04 628 0.934E-02 0.163E-02
DAV: 17 -0.913244117158E+02 -0.49959E-03 -0.76152E-05 744 0.561E-02 0.144E-02
DAV: 18 -0.913246842770E+02 -0.27256E-03 -0.48498E-05 623 0.330E-02 0.910E-03
DAV: 19 -0.913247356034E+02 -0.51326E-04 -0.68275E-06 504 0.153E-02 0.435E-03
DAV: 20 -0.913247707770E+02 -0.35174E-04 -0.84149E-06 415 0.173E-02 0.231E-03
DAV: 21 -0.913247892639E+02 -0.18487E-04 -0.25877E-06 448 0.758E-03 0.215E-03
DAV: 22 -0.913247945806E+02 -0.53167E-05 -0.92882E-07 444 0.558E-03
1 F= -.91324795E+02 E0= -.91329668E+02 d E =0.146213E-01