./iterations/neb0_image02_iter271_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 0.365432574231E+03 0.36543E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.141089433621E+01 -0.36402E+03 -0.35255E+03 861 0.195E+02
DAV: 3 -0.955420077456E+02 -0.96953E+02 -0.96621E+02 632 0.116E+02
DAV: 4 -0.100209003818E+03 -0.46670E+01 -0.46564E+01 720 0.298E+01
DAV: 5 -0.100301725863E+03 -0.92722E-01 -0.92691E-01 720 0.377E+00 0.222E+01
DAV: 6 -0.916618948895E+02 0.86398E+01 -0.30917E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908476619850E+02 0.81423E+00 -0.18054E+00 712 0.633E+00 0.484E+00
DAV: 8 -0.904705988722E+02 0.37706E+00 -0.55203E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903873144467E+02 0.83284E-01 -0.13098E-01 720 0.168E+00 0.424E-01
DAV: 10 -0.903831618042E+02 0.41526E-02 -0.44903E-02 712 0.116E+00 0.323E-01
DAV: 11 -0.903875828340E+02 -0.44210E-02 -0.86906E-03 621 0.673E-01 0.115E-01
DAV: 12 -0.903897521157E+02 -0.21693E-02 -0.45320E-03 637 0.335E-01 0.114E-01
DAV: 13 -0.903930141765E+02 -0.32621E-02 -0.16565E-03 829 0.284E-01 0.844E-02
DAV: 14 -0.903958132772E+02 -0.27991E-02 -0.92893E-04 631 0.139E-01 0.570E-02
DAV: 15 -0.903976617293E+02 -0.18485E-02 -0.31376E-04 680 0.103E-01 0.313E-02
DAV: 16 -0.903991540604E+02 -0.14923E-02 -0.47507E-04 672 0.123E-01 0.316E-02
DAV: 17 -0.903996357575E+02 -0.48170E-03 -0.11125E-04 744 0.749E-02 0.219E-02
DAV: 18 -0.903997881498E+02 -0.15239E-03 -0.73669E-05 704 0.471E-02 0.141E-02
DAV: 19 -0.903999415499E+02 -0.15340E-03 -0.24437E-05 511 0.343E-02 0.691E-03
DAV: 20 -0.904000473074E+02 -0.10576E-03 -0.22652E-05 517 0.257E-02 0.538E-03
DAV: 21 -0.904000942551E+02 -0.46948E-04 -0.53351E-06 458 0.120E-02 0.348E-03
DAV: 22 -0.904001057440E+02 -0.11489E-04 -0.47691E-06 488 0.142E-02 0.283E-03
DAV: 23 -0.904001065677E+02 -0.82367E-06 -0.11644E-06 528 0.597E-03
1 F= -.90400107E+02 E0= -.90407908E+02 d E =0.234058E-01