iterations/neb0_image04_iter115_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 0.370550322709E+03 0.37055E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.402266450343E+01 -0.36653E+03 -0.35467E+03 858 0.195E+02
DAV: 3 -0.955377472616E+02 -0.99560E+02 -0.99247E+02 685 0.116E+02
DAV: 4 -0.999048492851E+02 -0.43671E+01 -0.43563E+01 704 0.277E+01
DAV: 5 -0.999888316952E+02 -0.83982E-01 -0.83943E-01 720 0.348E+00 0.222E+01
DAV: 6 -0.914369511095E+02 0.85519E+01 -0.30047E+01 696 0.295E+01 0.116E+01
DAV: 7 -0.905772170970E+02 0.85973E+00 -0.17708E+00 704 0.628E+00 0.480E+00
DAV: 8 -0.901789934245E+02 0.39822E+00 -0.55909E-01 712 0.421E+00 0.165E+00
DAV: 9 -0.900848887554E+02 0.94105E-01 -0.13181E-01 712 0.177E+00 0.442E-01
DAV: 10 -0.900754440482E+02 0.94447E-02 -0.55568E-02 709 0.132E+00 0.349E-01
DAV: 11 -0.900797453674E+02 -0.43013E-02 -0.16582E-02 616 0.779E-01 0.166E-01
DAV: 12 -0.900803264507E+02 -0.58108E-03 -0.43806E-03 655 0.377E-01 0.138E-01
DAV: 13 -0.900846044652E+02 -0.42780E-02 -0.68131E-03 821 0.617E-01 0.110E-01
DAV: 14 -0.900872350568E+02 -0.26306E-02 -0.15843E-03 680 0.228E-01 0.800E-02
DAV: 15 -0.900891956724E+02 -0.19606E-02 -0.74996E-04 666 0.152E-01 0.308E-02
DAV: 16 -0.900912049623E+02 -0.20093E-02 -0.40770E-04 685 0.108E-01 0.309E-02
DAV: 17 -0.900923521450E+02 -0.11472E-02 -0.10804E-04 677 0.468E-02 0.250E-02
DAV: 18 -0.900928878475E+02 -0.53570E-03 -0.17660E-04 642 0.774E-02 0.985E-03
DAV: 19 -0.900929548243E+02 -0.66977E-04 -0.13528E-05 520 0.230E-02 0.945E-03
DAV: 20 -0.900930597093E+02 -0.10488E-03 -0.18825E-05 435 0.270E-02 0.717E-03
DAV: 21 -0.900930893688E+02 -0.29660E-04 -0.50572E-06 477 0.157E-02 0.450E-03
DAV: 22 -0.900931103655E+02 -0.20997E-04 -0.68298E-06 426 0.162E-02 0.176E-03
DAV: 23 -0.900931250007E+02 -0.14635E-04 -0.23639E-06 447 0.712E-03 0.160E-03
DAV: 24 -0.900931280013E+02 -0.30006E-05 -0.93181E-07 466 0.505E-03
1 F= -.90093128E+02 E0= -.90097466E+02 d E =0.130130E-01