./iterations/neb0_image04_iter271_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 0.367160730870E+03 0.36716E+03 -0.14312E+04 624 0.799E+02
DAV: 2 0.520078575528E+00 -0.36664E+03 -0.35561E+03 858 0.195E+02
DAV: 3 -0.962077755510E+02 -0.96728E+02 -0.96441E+02 661 0.116E+02
DAV: 4 -0.100421309486E+03 -0.42135E+01 -0.42054E+01 704 0.276E+01
DAV: 5 -0.100502928102E+03 -0.81619E-01 -0.81592E-01 736 0.343E+00 0.225E+01
DAV: 6 -0.917084465496E+02 0.87945E+01 -0.31434E+01 682 0.300E+01 0.118E+01
DAV: 7 -0.908395463666E+02 0.86890E+00 -0.18299E+00 720 0.661E+00 0.486E+00
DAV: 8 -0.904243613595E+02 0.41519E+00 -0.54678E-01 704 0.454E+00 0.178E+00
DAV: 9 -0.903313027920E+02 0.93059E-01 -0.17565E-01 712 0.198E+00 0.538E-01
DAV: 10 -0.903200881943E+02 0.11215E-01 -0.38035E-02 720 0.112E+00 0.341E-01
DAV: 11 -0.903220044269E+02 -0.19162E-02 -0.70876E-03 704 0.479E-01 0.182E-01
DAV: 12 -0.903251318243E+02 -0.31274E-02 -0.31019E-03 621 0.363E-01 0.125E-01
DAV: 13 -0.903284258794E+02 -0.32941E-02 -0.15580E-03 634 0.304E-01 0.108E-01
DAV: 14 -0.903319046236E+02 -0.34787E-02 -0.16868E-03 692 0.278E-01 0.470E-02
DAV: 15 -0.903337953625E+02 -0.18907E-02 -0.42506E-04 672 0.107E-01 0.390E-02
DAV: 16 -0.903366183935E+02 -0.28230E-02 -0.87905E-04 702 0.190E-01 0.410E-02
DAV: 17 -0.903370630821E+02 -0.44469E-03 -0.13748E-04 728 0.906E-02 0.262E-02
DAV: 18 -0.903376417952E+02 -0.57871E-03 -0.25464E-04 699 0.934E-02 0.170E-02
DAV: 19 -0.903380865996E+02 -0.44480E-03 -0.74009E-05 708 0.548E-02 0.704E-03
DAV: 20 -0.903382367809E+02 -0.15018E-03 -0.15959E-05 482 0.197E-02 0.433E-03
DAV: 21 -0.903383406224E+02 -0.10384E-03 -0.18898E-05 484 0.196E-02 0.375E-03
DAV: 22 -0.903383555662E+02 -0.14944E-04 -0.15375E-06 528 0.769E-03 0.305E-03
DAV: 23 -0.903383683948E+02 -0.12829E-04 -0.44516E-06 398 0.143E-02 0.191E-03
DAV: 24 -0.903383732515E+02 -0.48567E-05 -0.11574E-06 468 0.676E-03
1 F= -.90338373E+02 E0= -.90346748E+02 d E =0.251255E-01