iterations/neb0_image04_iter206_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 0.365697786925E+03 0.36570E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.184339311604E+01 -0.36385E+03 -0.35117E+03 861 0.194E+02
DAV: 3 -0.959245430856E+02 -0.97768E+02 -0.97462E+02 653 0.116E+02
DAV: 4 -0.100294064808E+03 -0.43695E+01 -0.43608E+01 709 0.285E+01
DAV: 5 -0.100378211795E+03 -0.84147E-01 -0.84116E-01 728 0.357E+00 0.223E+01
DAV: 6 -0.916662496151E+02 0.87120E+01 -0.31140E+01 685 0.297E+01 0.117E+01
DAV: 7 -0.908043236635E+02 0.86193E+00 -0.17900E+00 704 0.640E+00 0.483E+00
DAV: 8 -0.903921975904E+02 0.41213E+00 -0.55850E-01 704 0.440E+00 0.170E+00
DAV: 9 -0.903001020620E+02 0.92096E-01 -0.13262E-01 720 0.200E+00 0.518E-01
DAV: 10 -0.902879939916E+02 0.12108E-01 -0.36769E-02 712 0.976E-01 0.352E-01
DAV: 11 -0.902900692883E+02 -0.20753E-02 -0.10443E-02 712 0.676E-01 0.260E-01
DAV: 12 -0.902916970143E+02 -0.16277E-02 -0.35540E-03 757 0.558E-01 0.119E-01
DAV: 13 -0.902955881387E+02 -0.38911E-02 -0.29968E-03 623 0.308E-01 0.958E-02
DAV: 14 -0.902997154735E+02 -0.41273E-02 -0.11843E-03 631 0.184E-01 0.367E-02
DAV: 15 -0.903022273428E+02 -0.25119E-02 -0.48633E-04 672 0.101E-01 0.369E-02
DAV: 16 -0.903046109466E+02 -0.23836E-02 -0.46081E-04 797 0.155E-01 0.304E-02
DAV: 17 -0.903055430379E+02 -0.93209E-03 -0.14574E-04 672 0.597E-02 0.281E-02
DAV: 18 -0.903059580150E+02 -0.41498E-03 -0.12920E-04 725 0.733E-02 0.914E-03
DAV: 19 -0.903061302706E+02 -0.17226E-03 -0.26513E-05 605 0.293E-02 0.720E-03
DAV: 20 -0.903062839158E+02 -0.15365E-03 -0.16983E-05 497 0.167E-02 0.692E-03
DAV: 21 -0.903063493954E+02 -0.65480E-04 -0.72285E-06 461 0.158E-02 0.332E-03
DAV: 22 -0.903063823997E+02 -0.33004E-04 -0.86011E-06 428 0.137E-02 0.246E-03
DAV: 23 -0.903063860113E+02 -0.36116E-05 -0.12026E-06 520 0.605E-03
1 F= -.90306386E+02 E0= -.90314838E+02 d E =0.253561E-01