./iterations/neb0_image09_iter57_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 0.374613181797E+03 0.37461E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.251314287276E+01 -0.37210E+03 -0.35974E+03 877 0.196E+02
DAV: 3 -0.968642292743E+02 -0.99377E+02 -0.99042E+02 672 0.117E+02
DAV: 4 -0.101242088847E+03 -0.43779E+01 -0.43689E+01 696 0.280E+01
DAV: 5 -0.101328166313E+03 -0.86077E-01 -0.86040E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926693303902E+02 0.86588E+01 -0.30888E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917985593378E+02 0.87077E+00 -0.17154E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914201436473E+02 0.37842E+00 -0.54509E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913379117409E+02 0.82232E-01 -0.13104E-01 701 0.155E+00 0.425E-01
DAV: 10 -0.913290341611E+02 0.88776E-02 -0.47489E-02 784 0.114E+00 0.308E-01
DAV: 11 -0.913335847194E+02 -0.45506E-02 -0.14152E-02 610 0.622E-01 0.149E-01
DAV: 12 -0.913364392621E+02 -0.28545E-02 -0.30689E-03 631 0.244E-01 0.121E-01
DAV: 13 -0.913403879101E+02 -0.39486E-02 -0.20700E-03 728 0.247E-01 0.458E-02
DAV: 14 -0.913436453049E+02 -0.32574E-02 -0.50764E-04 661 0.123E-01 0.307E-02
DAV: 15 -0.913453344376E+02 -0.16891E-02 -0.15565E-04 672 0.671E-02 0.326E-02
DAV: 16 -0.913464647545E+02 -0.11303E-02 -0.28091E-04 661 0.872E-02 0.176E-02
DAV: 17 -0.913467407812E+02 -0.27603E-03 -0.34851E-05 656 0.441E-02 0.135E-02
DAV: 18 -0.913469673981E+02 -0.22662E-03 -0.48526E-05 637 0.367E-02 0.102E-02
DAV: 19 -0.913470729410E+02 -0.10554E-03 -0.10271E-05 472 0.239E-02 0.460E-03
DAV: 20 -0.913471123245E+02 -0.39383E-04 -0.13259E-05 453 0.193E-02 0.288E-03
DAV: 21 -0.913471320560E+02 -0.19731E-04 -0.27688E-06 434 0.798E-03 0.233E-03
DAV: 22 -0.913471359701E+02 -0.39141E-05 -0.10711E-06 472 0.642E-03
1 F= -.91347136E+02 E0= -.91351883E+02 d E =0.142416E-01