iterations/neb0_image09_iter298_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 0.374246430305E+03 0.37425E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.335927538690E+01 -0.37089E+03 -0.35817E+03 866 0.196E+02
DAV: 3 -0.967797227992E+02 -0.10014E+03 -0.99817E+02 664 0.117E+02
DAV: 4 -0.101312176184E+03 -0.45325E+01 -0.45216E+01 712 0.287E+01
DAV: 5 -0.101400947186E+03 -0.88771E-01 -0.88730E-01 736 0.364E+00 0.228E+01
DAV: 6 -0.926874358021E+02 0.87135E+01 -0.31045E+01 728 0.302E+01 0.119E+01
DAV: 7 -0.918120294905E+02 0.87541E+00 -0.17304E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914354361890E+02 0.37659E+00 -0.54039E-01 704 0.396E+00 0.163E+00
DAV: 9 -0.913535256068E+02 0.81911E-01 -0.13232E-01 720 0.154E+00 0.423E-01
DAV: 10 -0.913452427360E+02 0.82829E-02 -0.46950E-02 768 0.111E+00 0.310E-01
DAV: 11 -0.913500169756E+02 -0.47742E-02 -0.14704E-02 608 0.633E-01 0.150E-01
DAV: 12 -0.913529115950E+02 -0.28946E-02 -0.29957E-03 626 0.230E-01 0.119E-01
DAV: 13 -0.913568529213E+02 -0.39413E-02 -0.29396E-03 717 0.288E-01 0.587E-02
DAV: 14 -0.913599219880E+02 -0.30691E-02 -0.62038E-04 672 0.130E-01 0.274E-02
DAV: 15 -0.913618323800E+02 -0.19104E-02 -0.19148E-04 664 0.604E-02 0.166E-02
DAV: 16 -0.913627053133E+02 -0.87293E-03 -0.13687E-04 661 0.510E-02 0.169E-02
DAV: 17 -0.913629522919E+02 -0.24698E-03 -0.27060E-05 608 0.315E-02 0.886E-03
DAV: 18 -0.913631200592E+02 -0.16777E-03 -0.25497E-05 546 0.208E-02 0.426E-03
DAV: 19 -0.913631476432E+02 -0.27584E-04 -0.54766E-06 520 0.152E-02 0.232E-03
DAV: 20 -0.913631812722E+02 -0.33629E-04 -0.46399E-06 412 0.943E-03 0.303E-03
DAV: 21 -0.913631858673E+02 -0.45952E-05 -0.82510E-07 504 0.523E-03
1 F= -.91363186E+02 E0= -.91367942E+02 d E =0.142690E-01