iterations/neb0_image02_iter104_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 0.364892726031E+03 0.36489E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.407551270684E+01 -0.36082E+03 -0.34614E+03 834 0.194E+02
DAV: 3 -0.955969182494E+02 -0.99672E+02 -0.99343E+02 680 0.116E+02
DAV: 4 -0.100183057102E+03 -0.45861E+01 -0.45755E+01 704 0.282E+01
DAV: 5 -0.100272678135E+03 -0.89621E-01 -0.89579E-01 736 0.353E+00 0.222E+01
DAV: 6 -0.916619690056E+02 0.86107E+01 -0.30944E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908429497690E+02 0.81902E+00 -0.18252E+00 704 0.632E+00 0.483E+00
DAV: 8 -0.904578313989E+02 0.38512E+00 -0.55571E-01 688 0.426E+00 0.169E+00
DAV: 9 -0.903682080324E+02 0.89623E-01 -0.13856E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903619414068E+02 0.62666E-02 -0.48033E-02 704 0.128E+00 0.324E-01
DAV: 11 -0.903656183373E+02 -0.36769E-02 -0.73613E-03 608 0.498E-01 0.144E-01
DAV: 12 -0.903689918296E+02 -0.33735E-02 -0.72217E-03 629 0.462E-01 0.132E-01
DAV: 13 -0.903717279366E+02 -0.27361E-02 -0.15744E-03 968 0.335E-01 0.806E-02
DAV: 14 -0.903747814723E+02 -0.30535E-02 -0.13527E-03 634 0.176E-01 0.585E-02
DAV: 15 -0.903770444241E+02 -0.22630E-02 -0.39558E-04 672 0.112E-01 0.437E-02
DAV: 16 -0.903784219913E+02 -0.13776E-02 -0.65831E-04 656 0.145E-01 0.326E-02
DAV: 17 -0.903793128906E+02 -0.89090E-03 -0.15105E-04 706 0.819E-02 0.213E-02
DAV: 18 -0.903794728310E+02 -0.15994E-03 -0.49711E-05 712 0.364E-02 0.100E-02
DAV: 19 -0.903796871717E+02 -0.21434E-03 -0.31757E-05 548 0.274E-02 0.365E-03
DAV: 20 -0.903797398338E+02 -0.52662E-04 -0.46315E-06 480 0.133E-02 0.411E-03
DAV: 21 -0.903797846721E+02 -0.44838E-04 -0.79780E-06 420 0.171E-02 0.513E-03
DAV: 22 -0.903798029538E+02 -0.18282E-04 -0.39582E-06 477 0.121E-02 0.337E-03
DAV: 23 -0.903798045872E+02 -0.16334E-05 -0.37047E-06 544 0.110E-02
1 F= -.90379805E+02 E0= -.90385486E+02 d E =0.170436E-01