iterations/neb0_image08_iter285_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 0.375177905475E+03 0.37518E+03 -0.14290E+04 624 0.799E+02
DAV: 2 0.436714328856E+01 -0.37081E+03 -0.35850E+03 869 0.196E+02
DAV: 3 -0.963734065439E+02 -0.10074E+03 -0.10041E+03 648 0.117E+02
DAV: 4 -0.101270212918E+03 -0.48968E+01 -0.48856E+01 704 0.301E+01
DAV: 5 -0.101367123507E+03 -0.96911E-01 -0.96870E-01 728 0.384E+00 0.228E+01
DAV: 6 -0.926681622200E+02 0.86990E+01 -0.30771E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.917874827857E+02 0.88068E+00 -0.17207E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914117102650E+02 0.37577E+00 -0.54696E-01 728 0.400E+00 0.162E+00
DAV: 9 -0.913313420114E+02 0.80368E-01 -0.13032E-01 736 0.154E+00 0.422E-01
DAV: 10 -0.913229256398E+02 0.84164E-02 -0.45338E-02 733 0.109E+00 0.306E-01
DAV: 11 -0.913277797233E+02 -0.48541E-02 -0.14691E-02 608 0.624E-01 0.158E-01
DAV: 12 -0.913307208952E+02 -0.29412E-02 -0.29605E-03 634 0.234E-01 0.112E-01
DAV: 13 -0.913345121523E+02 -0.37913E-02 -0.26825E-03 639 0.273E-01 0.569E-02
DAV: 14 -0.913377141248E+02 -0.32020E-02 -0.87783E-04 672 0.173E-01 0.268E-02
DAV: 15 -0.913391652884E+02 -0.14512E-02 -0.17574E-04 664 0.697E-02 0.188E-02
DAV: 16 -0.913401833676E+02 -0.10181E-02 -0.15209E-04 658 0.721E-02 0.115E-02
DAV: 17 -0.913406150709E+02 -0.43170E-03 -0.37590E-05 664 0.289E-02 0.110E-02
DAV: 18 -0.913407300261E+02 -0.11496E-03 -0.12628E-05 504 0.234E-02 0.590E-03
DAV: 19 -0.913408878544E+02 -0.15783E-03 -0.24689E-05 510 0.210E-02 0.414E-03
DAV: 20 -0.913409032575E+02 -0.15403E-04 -0.16586E-06 520 0.895E-03 0.250E-03
DAV: 21 -0.913409253565E+02 -0.22099E-04 -0.58296E-06 400 0.149E-02 0.282E-03
DAV: 22 -0.913409286136E+02 -0.32571E-05 -0.11070E-06 501 0.739E-03
1 F= -.91340929E+02 E0= -.91345728E+02 d E =0.143977E-01