iterations/neb0_image08_iter89_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 0.375287376211E+03 0.37529E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.362329599750E+01 -0.37166E+03 -0.35840E+03 869 0.196E+02
DAV: 3 -0.966817086016E+02 -0.10031E+03 -0.99963E+02 688 0.117E+02
DAV: 4 -0.101079330914E+03 -0.43976E+01 -0.43875E+01 688 0.276E+01
DAV: 5 -0.101167156654E+03 -0.87826E-01 -0.87786E-01 736 0.348E+00 0.226E+01
DAV: 6 -0.925781280754E+02 0.85890E+01 -0.30757E+01 698 0.301E+01 0.118E+01
DAV: 7 -0.917205227236E+02 0.85761E+00 -0.16804E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913418807602E+02 0.37864E+00 -0.56027E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912594185808E+02 0.82462E-01 -0.12859E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.912500972731E+02 0.93213E-02 -0.46740E-02 720 0.112E+00 0.307E-01
DAV: 11 -0.912548171476E+02 -0.47199E-02 -0.13719E-02 624 0.601E-01 0.156E-01
DAV: 12 -0.912578014838E+02 -0.29843E-02 -0.32409E-03 614 0.254E-01 0.126E-01
DAV: 13 -0.912614158365E+02 -0.36144E-02 -0.17096E-03 744 0.242E-01 0.452E-02
DAV: 14 -0.912645073443E+02 -0.30915E-02 -0.58182E-04 653 0.121E-01 0.415E-02
DAV: 15 -0.912665503504E+02 -0.20430E-02 -0.18956E-04 653 0.734E-02 0.407E-02
DAV: 16 -0.912676712302E+02 -0.11209E-02 -0.40739E-04 666 0.101E-01 0.227E-02
DAV: 17 -0.912679593895E+02 -0.28816E-03 -0.61019E-05 696 0.560E-02 0.145E-02
DAV: 18 -0.912682294385E+02 -0.27005E-03 -0.52236E-05 626 0.328E-02 0.121E-02
DAV: 19 -0.912682917353E+02 -0.62297E-04 -0.74437E-06 488 0.193E-02 0.587E-03
DAV: 20 -0.912683304179E+02 -0.38683E-04 -0.14742E-05 424 0.234E-02 0.370E-03
DAV: 21 -0.912683481064E+02 -0.17689E-04 -0.29371E-06 464 0.895E-03 0.331E-03
DAV: 22 -0.912683574298E+02 -0.93234E-05 -0.19613E-06 421 0.901E-03
1 F= -.91268357E+02 E0= -.91273478E+02 d E =0.153619E-01