iterations/neb0_image03_iter294_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 0.363206100948E+03 0.36321E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.510410051793E+00 -0.36270E+03 -0.35107E+03 861 0.195E+02
DAV: 3 -0.959703291650E+02 -0.96481E+02 -0.96170E+02 664 0.115E+02
DAV: 4 -0.100282389727E+03 -0.43121E+01 -0.43035E+01 696 0.280E+01
DAV: 5 -0.100366504743E+03 -0.84115E-01 -0.84093E-01 744 0.351E+00 0.223E+01
DAV: 6 -0.916946721560E+02 0.86718E+01 -0.31456E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908625728458E+02 0.83210E+00 -0.17797E+00 712 0.630E+00 0.484E+00
DAV: 8 -0.904746482969E+02 0.38792E+00 -0.55308E-01 704 0.428E+00 0.171E+00
DAV: 9 -0.903861486323E+02 0.88500E-01 -0.14071E-01 704 0.173E+00 0.450E-01
DAV: 10 -0.903798854336E+02 0.62632E-02 -0.42092E-02 712 0.120E+00 0.326E-01
DAV: 11 -0.903829513695E+02 -0.30659E-02 -0.51033E-03 640 0.549E-01 0.141E-01
DAV: 12 -0.903864844924E+02 -0.35331E-02 -0.55247E-03 616 0.359E-01 0.109E-01
DAV: 13 -0.903908425093E+02 -0.43580E-02 -0.99397E-04 666 0.214E-01 0.727E-02
DAV: 14 -0.903944672110E+02 -0.36247E-02 -0.14002E-03 648 0.164E-01 0.486E-02
DAV: 15 -0.903966966373E+02 -0.22294E-02 -0.34736E-04 685 0.118E-01 0.190E-02
DAV: 16 -0.903980160186E+02 -0.13194E-02 -0.29233E-04 653 0.861E-02 0.303E-02
DAV: 17 -0.903983399522E+02 -0.32393E-03 -0.77485E-05 704 0.669E-02 0.119E-02
DAV: 18 -0.903987838286E+02 -0.44388E-03 -0.88045E-05 641 0.475E-02 0.111E-02
DAV: 19 -0.903988779836E+02 -0.94155E-04 -0.10241E-05 469 0.187E-02 0.790E-03
DAV: 20 -0.903989572465E+02 -0.79263E-04 -0.16922E-05 517 0.215E-02 0.298E-03
DAV: 21 -0.903989871080E+02 -0.29862E-04 -0.55270E-06 482 0.121E-02 0.295E-03
DAV: 22 -0.903989987810E+02 -0.11673E-04 -0.15791E-06 426 0.546E-03 0.210E-03
DAV: 23 -0.903990026734E+02 -0.38923E-05 -0.14278E-06 477 0.813E-03
1 F= -.90399003E+02 E0= -.90407474E+02 d E =0.254135E-01