iterations/neb0_image02_iter91_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 0.367953725620E+03 0.36795E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.468521221804E+01 -0.36327E+03 -0.34854E+03 834 0.195E+02
DAV: 3 -0.954930685376E+02 -0.10018E+03 -0.99845E+02 672 0.116E+02
DAV: 4 -0.100172621468E+03 -0.46796E+01 -0.46688E+01 704 0.287E+01
DAV: 5 -0.100265311537E+03 -0.92690E-01 -0.92646E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916616197787E+02 0.86037E+01 -0.30895E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908390414203E+02 0.82258E+00 -0.18268E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904523976736E+02 0.38664E+00 -0.55857E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903623817764E+02 0.90016E-01 -0.13919E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903559381896E+02 0.64436E-02 -0.47302E-02 704 0.128E+00 0.322E-01
DAV: 11 -0.903596184933E+02 -0.36803E-02 -0.72525E-03 616 0.488E-01 0.147E-01
DAV: 12 -0.903629829088E+02 -0.33644E-02 -0.71234E-03 610 0.469E-01 0.130E-01
DAV: 13 -0.903657643910E+02 -0.27815E-02 -0.14269E-03 968 0.322E-01 0.794E-02
DAV: 14 -0.903688447429E+02 -0.30804E-02 -0.13477E-03 634 0.175E-01 0.559E-02
DAV: 15 -0.903712119927E+02 -0.23672E-02 -0.40898E-04 672 0.114E-01 0.424E-02
DAV: 16 -0.903725700946E+02 -0.13581E-02 -0.58728E-04 656 0.136E-01 0.309E-02
DAV: 17 -0.903734568036E+02 -0.88671E-03 -0.15984E-04 797 0.846E-02 0.189E-02
DAV: 18 -0.903736068816E+02 -0.15008E-03 -0.37757E-05 704 0.328E-02 0.101E-02
DAV: 19 -0.903738269727E+02 -0.22009E-03 -0.37397E-05 564 0.299E-02 0.399E-03
DAV: 20 -0.903738628291E+02 -0.35856E-04 -0.30235E-06 488 0.958E-03 0.438E-03
DAV: 21 -0.903739134666E+02 -0.50637E-04 -0.67057E-06 414 0.147E-02 0.297E-03
DAV: 22 -0.903739254407E+02 -0.11974E-04 -0.38441E-06 477 0.974E-03 0.254E-03
DAV: 23 -0.903739275683E+02 -0.21276E-05 -0.12094E-06 520 0.720E-03
1 F= -.90373928E+02 E0= -.90379593E+02 d E =0.169961E-01