./iterations/neb0_image03_iter179_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 0.364311910104E+03 0.36431E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.159843475958E+00 -0.36415E+03 -0.35410E+03 858 0.195E+02
DAV: 3 -0.960696654674E+02 -0.96230E+02 -0.95917E+02 672 0.115E+02
DAV: 4 -0.100264763432E+03 -0.41951E+01 -0.41837E+01 720 0.274E+01
DAV: 5 -0.100347297005E+03 -0.82534E-01 -0.82498E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917210918931E+02 0.86262E+01 -0.30984E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908796663667E+02 0.84143E+00 -0.18083E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904829900260E+02 0.39668E+00 -0.55741E-01 704 0.429E+00 0.170E+00
DAV: 9 -0.903854558834E+02 0.97534E-01 -0.12853E-01 704 0.187E+00 0.446E-01
DAV: 10 -0.903773661522E+02 0.80897E-02 -0.51452E-02 720 0.124E+00 0.353E-01
DAV: 11 -0.903809771471E+02 -0.36110E-02 -0.11685E-02 616 0.725E-01 0.131E-01
DAV: 12 -0.903832023284E+02 -0.22252E-02 -0.59203E-03 632 0.387E-01 0.133E-01
DAV: 13 -0.903868499400E+02 -0.36476E-02 -0.38853E-03 808 0.478E-01 0.853E-02
DAV: 14 -0.903904002867E+02 -0.35503E-02 -0.14325E-03 669 0.231E-01 0.717E-02
DAV: 15 -0.903922263569E+02 -0.18261E-02 -0.33367E-04 664 0.972E-02 0.374E-02
DAV: 16 -0.903945326199E+02 -0.23063E-02 -0.64872E-04 644 0.137E-01 0.300E-02
DAV: 17 -0.903950404270E+02 -0.50781E-03 -0.61263E-05 720 0.705E-02 0.192E-02
DAV: 18 -0.903957683166E+02 -0.72789E-03 -0.29597E-04 689 0.109E-01 0.206E-02
DAV: 19 -0.903959211854E+02 -0.15287E-03 -0.44963E-05 680 0.475E-02 0.103E-02
DAV: 20 -0.903960149768E+02 -0.93791E-04 -0.32272E-05 581 0.284E-02 0.337E-03
DAV: 21 -0.903960882677E+02 -0.73291E-04 -0.95183E-06 420 0.141E-02 0.449E-03
DAV: 22 -0.903961123204E+02 -0.24053E-04 -0.44638E-06 488 0.989E-03 0.408E-03
DAV: 23 -0.903961208900E+02 -0.85696E-05 -0.82819E-06 456 0.235E-02
1 F= -.90396121E+02 E0= -.90401862E+02 d E =0.172247E-01