./iterations/neb0_image08_iter105_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 0.375929868711E+03 0.37593E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.349551056113E+01 -0.37243E+03 -0.35940E+03 869 0.196E+02
DAV: 3 -0.967995226846E+02 -0.10030E+03 -0.99955E+02 688 0.117E+02
DAV: 4 -0.101169219281E+03 -0.43697E+01 -0.43596E+01 688 0.275E+01
DAV: 5 -0.101256066379E+03 -0.86847E-01 -0.86810E-01 736 0.347E+00 0.227E+01
DAV: 6 -0.926116527132E+02 0.86444E+01 -0.30787E+01 717 0.302E+01 0.119E+01
DAV: 7 -0.917411703681E+02 0.87048E+00 -0.17092E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913619942996E+02 0.37918E+00 -0.55659E-01 704 0.402E+00 0.162E+00
DAV: 9 -0.912794017225E+02 0.82593E-01 -0.13109E-01 712 0.157E+00 0.424E-01
DAV: 10 -0.912703211950E+02 0.90805E-02 -0.46228E-02 736 0.113E+00 0.306E-01
DAV: 11 -0.912748798136E+02 -0.45586E-02 -0.13366E-02 624 0.599E-01 0.150E-01
DAV: 12 -0.912778130004E+02 -0.29332E-02 -0.29143E-03 609 0.253E-01 0.116E-01
DAV: 13 -0.912813761620E+02 -0.35632E-02 -0.14022E-03 661 0.210E-01 0.481E-02
DAV: 14 -0.912846220592E+02 -0.32459E-02 -0.74961E-04 664 0.156E-01 0.363E-02
DAV: 15 -0.912863160113E+02 -0.16940E-02 -0.18900E-04 680 0.825E-02 0.412E-02
DAV: 16 -0.912876476928E+02 -0.13317E-02 -0.38585E-04 658 0.102E-01 0.179E-02
DAV: 17 -0.912880764391E+02 -0.42875E-03 -0.66147E-05 672 0.569E-02 0.153E-02
DAV: 18 -0.912882936115E+02 -0.21717E-03 -0.35342E-05 584 0.291E-02 0.112E-02
DAV: 19 -0.912884248060E+02 -0.13119E-03 -0.16192E-05 445 0.201E-02 0.500E-03
DAV: 20 -0.912884563218E+02 -0.31516E-04 -0.67804E-06 504 0.162E-02 0.169E-03
DAV: 21 -0.912884827615E+02 -0.26440E-04 -0.65288E-06 398 0.133E-02 0.317E-03
DAV: 22 -0.912884871429E+02 -0.43814E-05 -0.11791E-06 488 0.599E-03
1 F= -.91288487E+02 E0= -.91293316E+02 d E =0.144866E-01