iterations/neb0_image04_iter26_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 0.365635076521E+03 0.36564E+03 -0.14290E+04 632 0.799E+02
DAV: 2 0.505736753895E+01 -0.36058E+03 -0.34788E+03 853 0.194E+02
DAV: 3 -0.942173845472E+02 -0.99275E+02 -0.98880E+02 672 0.116E+02
DAV: 4 -0.988886345150E+02 -0.46712E+01 -0.46570E+01 728 0.287E+01
DAV: 5 -0.989861868171E+02 -0.97552E-01 -0.97513E-01 712 0.366E+00 0.217E+01
DAV: 6 -0.905179376943E+02 0.84682E+01 -0.30471E+01 677 0.298E+01 0.113E+01
DAV: 7 -0.896983785951E+02 0.81956E+00 -0.16436E+00 728 0.637E+00 0.477E+00
DAV: 8 -0.892995599751E+02 0.39882E+00 -0.61656E-01 704 0.446E+00 0.164E+00
DAV: 9 -0.892078592173E+02 0.91701E-01 -0.13295E-01 728 0.172E+00 0.448E-01
DAV: 10 -0.891978758110E+02 0.99834E-02 -0.37870E-02 728 0.964E-01 0.318E-01
DAV: 11 -0.892009724367E+02 -0.30966E-02 -0.11039E-02 616 0.572E-01 0.145E-01
DAV: 12 -0.892023924055E+02 -0.14200E-02 -0.21338E-03 680 0.282E-01 0.119E-01
DAV: 13 -0.892078941768E+02 -0.55018E-02 -0.51404E-03 740 0.486E-01 0.101E-01
DAV: 14 -0.892098863100E+02 -0.19921E-02 -0.10188E-03 776 0.209E-01 0.525E-02
DAV: 15 -0.892127923485E+02 -0.29060E-02 -0.17120E-03 641 0.233E-01 0.600E-02
DAV: 16 -0.892138165248E+02 -0.10242E-02 -0.22353E-04 845 0.108E-01 0.313E-02
DAV: 17 -0.892150903556E+02 -0.12738E-02 -0.37691E-04 698 0.111E-01 0.168E-02
DAV: 18 -0.892155414124E+02 -0.45106E-03 -0.56341E-05 677 0.354E-02 0.190E-02
DAV: 19 -0.892157010904E+02 -0.15968E-03 -0.21423E-05 544 0.301E-02 0.840E-03
DAV: 20 -0.892158087666E+02 -0.10768E-03 -0.44574E-05 612 0.370E-02 0.794E-03
DAV: 21 -0.892158308573E+02 -0.22091E-04 -0.34119E-06 501 0.147E-02 0.438E-03
DAV: 22 -0.892158461808E+02 -0.15323E-04 -0.37957E-06 411 0.928E-03 0.159E-03
DAV: 23 -0.892158500606E+02 -0.38798E-05 -0.10509E-06 493 0.500E-03
1 F= -.89215850E+02 E0= -.89223045E+02 d E =0.215833E-01