iterations/neb0_image03_iter148_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 0.364951584967E+03 0.36495E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.116022945539E+01 -0.36379E+03 -0.35241E+03 861 0.195E+02
DAV: 3 -0.960323818280E+02 -0.97193E+02 -0.96882E+02 680 0.115E+02
DAV: 4 -0.100206783462E+03 -0.41744E+01 -0.41645E+01 696 0.274E+01
DAV: 5 -0.100287214388E+03 -0.80431E-01 -0.80398E-01 736 0.344E+00 0.222E+01
DAV: 6 -0.916906563724E+02 0.85966E+01 -0.30744E+01 672 0.298E+01 0.117E+01
DAV: 7 -0.908469931828E+02 0.84366E+00 -0.17892E+00 696 0.634E+00 0.483E+00
DAV: 8 -0.904472980199E+02 0.39970E+00 -0.56192E-01 704 0.432E+00 0.168E+00
DAV: 9 -0.903516758839E+02 0.95622E-01 -0.12447E-01 704 0.183E+00 0.448E-01
DAV: 10 -0.903433501181E+02 0.83258E-02 -0.44370E-02 712 0.109E+00 0.343E-01
DAV: 11 -0.903460634787E+02 -0.27134E-02 -0.68981E-03 672 0.633E-01 0.128E-01
DAV: 12 -0.903486873796E+02 -0.26239E-02 -0.56250E-03 626 0.346E-01 0.125E-01
DAV: 13 -0.903532489286E+02 -0.45615E-02 -0.27457E-03 685 0.360E-01 0.841E-02
DAV: 14 -0.903570229902E+02 -0.37741E-02 -0.91439E-04 669 0.162E-01 0.610E-02
DAV: 15 -0.903591902747E+02 -0.21673E-02 -0.54050E-04 661 0.143E-01 0.205E-02
DAV: 16 -0.903610610194E+02 -0.18707E-02 -0.25277E-04 661 0.767E-02 0.198E-02
DAV: 17 -0.903618085721E+02 -0.74755E-03 -0.52687E-05 613 0.430E-02 0.112E-02
DAV: 18 -0.903622891630E+02 -0.48059E-03 -0.10657E-04 644 0.517E-02 0.117E-02
DAV: 19 -0.903623220347E+02 -0.32872E-04 -0.66172E-06 544 0.300E-02 0.563E-03
DAV: 20 -0.903624385807E+02 -0.11655E-03 -0.58286E-05 606 0.442E-02 0.123E-02
DAV: 21 -0.903624498123E+02 -0.11232E-04 -0.69393E-06 496 0.283E-02 0.588E-03
DAV: 22 -0.903624710206E+02 -0.21208E-04 -0.15399E-05 423 0.221E-02 0.207E-03
DAV: 23 -0.903624833716E+02 -0.12351E-04 -0.39919E-06 472 0.111E-02 0.352E-03
DAV: 24 -0.903624876818E+02 -0.43102E-05 -0.69984E-07 439 0.766E-03
1 F= -.90362488E+02 E0= -.90371394E+02 d E =0.267191E-01