iterations/neb0_image02_iter59_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 0.368123320000E+03 0.36812E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.464682633107E+01 -0.36348E+03 -0.34870E+03 834 0.195E+02
DAV: 3 -0.956521566786E+02 -0.10030E+03 -0.99964E+02 680 0.116E+02
DAV: 4 -0.100179425036E+03 -0.45273E+01 -0.45169E+01 696 0.283E+01
DAV: 5 -0.100267142748E+03 -0.87718E-01 -0.87674E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916450963363E+02 0.86220E+01 -0.31043E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908236219981E+02 0.82147E+00 -0.18304E+00 704 0.633E+00 0.484E+00
DAV: 8 -0.904355419751E+02 0.38808E+00 -0.55860E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903444041739E+02 0.91138E-01 -0.14025E-01 704 0.166E+00 0.434E-01
DAV: 10 -0.903377718718E+02 0.66323E-02 -0.46458E-02 717 0.126E+00 0.319E-01
DAV: 11 -0.903415536097E+02 -0.37817E-02 -0.73878E-03 608 0.482E-01 0.145E-01
DAV: 12 -0.903449335693E+02 -0.33800E-02 -0.66421E-03 629 0.453E-01 0.126E-01
DAV: 13 -0.903476691987E+02 -0.27356E-02 -0.12839E-03 928 0.309E-01 0.784E-02
DAV: 14 -0.903508063662E+02 -0.31372E-02 -0.13886E-03 637 0.181E-01 0.547E-02
DAV: 15 -0.903532199336E+02 -0.24136E-02 -0.42574E-04 669 0.122E-01 0.407E-02
DAV: 16 -0.903545253407E+02 -0.13054E-02 -0.55243E-04 656 0.128E-01 0.315E-02
DAV: 17 -0.903554442489E+02 -0.91891E-03 -0.20173E-04 850 0.960E-02 0.166E-02
DAV: 18 -0.903555599944E+02 -0.11575E-03 -0.31449E-05 672 0.319E-02 0.108E-02
DAV: 19 -0.903557932013E+02 -0.23321E-03 -0.41199E-05 561 0.313E-02 0.455E-03
DAV: 20 -0.903558311211E+02 -0.37920E-04 -0.31181E-06 480 0.108E-02 0.411E-03
DAV: 21 -0.903558862808E+02 -0.55160E-04 -0.82581E-06 409 0.166E-02 0.231E-03
DAV: 22 -0.903558987395E+02 -0.12459E-04 -0.37169E-06 477 0.890E-03 0.263E-03
DAV: 23 -0.903559006923E+02 -0.19528E-05 -0.64382E-07 520 0.496E-03
1 F= -.90355901E+02 E0= -.90361260E+02 d E =0.160783E-01