./iterations/neb0_image09_iter159_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 0.374119522697E+03 0.37412E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.328517901347E+01 -0.37083E+03 -0.35804E+03 869 0.196E+02
DAV: 3 -0.967052910171E+02 -0.99990E+02 -0.99660E+02 661 0.117E+02
DAV: 4 -0.101249026156E+03 -0.45437E+01 -0.45331E+01 720 0.287E+01
DAV: 5 -0.101338208099E+03 -0.89182E-01 -0.89142E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926726798647E+02 0.86655E+01 -0.30967E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918075417721E+02 0.86514E+00 -0.17261E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914318904996E+02 0.37565E+00 -0.54186E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913501144501E+02 0.81776E-01 -0.13111E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913417492649E+02 0.83652E-02 -0.44121E-02 776 0.110E+00 0.299E-01
DAV: 11 -0.913460520157E+02 -0.43028E-02 -0.11752E-02 616 0.566E-01 0.132E-01
DAV: 12 -0.913491931691E+02 -0.31412E-02 -0.28064E-03 634 0.244E-01 0.109E-01
DAV: 13 -0.913527842636E+02 -0.35911E-02 -0.12603E-03 672 0.193E-01 0.438E-02
DAV: 14 -0.913560741164E+02 -0.32899E-02 -0.68808E-04 664 0.146E-01 0.356E-02
DAV: 15 -0.913574634248E+02 -0.13893E-02 -0.14431E-04 744 0.795E-02 0.333E-02
DAV: 16 -0.913589217242E+02 -0.14583E-02 -0.32749E-04 653 0.886E-02 0.169E-02
DAV: 17 -0.913593176681E+02 -0.39594E-03 -0.62469E-05 688 0.554E-02 0.122E-02
DAV: 18 -0.913595582367E+02 -0.24057E-03 -0.39721E-05 565 0.280E-02 0.952E-03
DAV: 19 -0.913596114854E+02 -0.53249E-04 -0.84276E-06 496 0.165E-02 0.442E-03
DAV: 20 -0.913596420713E+02 -0.30586E-04 -0.73822E-06 429 0.178E-02 0.181E-03
DAV: 21 -0.913596594069E+02 -0.17336E-04 -0.27307E-06 453 0.774E-03 0.234E-03
DAV: 22 -0.913596642209E+02 -0.48139E-05 -0.66691E-07 458 0.484E-03
1 F= -.91359664E+02 E0= -.91364552E+02 d E =0.146634E-01