./iterations/neb0_image04_iter226_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 0.367831045936E+03 0.36783E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.153999208576E+01 -0.36629E+03 -0.35479E+03 869 0.195E+02
DAV: 3 -0.960024979436E+02 -0.97542E+02 -0.97254E+02 661 0.116E+02
DAV: 4 -0.100289171774E+03 -0.42867E+01 -0.42772E+01 704 0.279E+01
DAV: 5 -0.100373189387E+03 -0.84018E-01 -0.83985E-01 736 0.350E+00 0.223E+01
DAV: 6 -0.916706904357E+02 0.87025E+01 -0.31212E+01 682 0.299E+01 0.117E+01
DAV: 7 -0.908094799120E+02 0.86121E+00 -0.17926E+00 712 0.655E+00 0.485E+00
DAV: 8 -0.903952268421E+02 0.41425E+00 -0.55142E-01 696 0.452E+00 0.176E+00
DAV: 9 -0.903037266695E+02 0.91500E-01 -0.16160E-01 712 0.201E+00 0.544E-01
DAV: 10 -0.902911086988E+02 0.12618E-01 -0.34671E-02 720 0.993E-01 0.343E-01
DAV: 11 -0.902927288758E+02 -0.16202E-02 -0.10965E-02 712 0.528E-01 0.199E-01
DAV: 12 -0.902963039911E+02 -0.35751E-02 -0.37454E-03 612 0.363E-01 0.117E-01
DAV: 13 -0.902995673941E+02 -0.32634E-02 -0.10676E-03 647 0.238E-01 0.101E-01
DAV: 14 -0.903032652790E+02 -0.36979E-02 -0.22182E-03 798 0.298E-01 0.670E-02
DAV: 15 -0.903046997596E+02 -0.14345E-02 -0.30934E-04 768 0.136E-01 0.371E-02
DAV: 16 -0.903076105909E+02 -0.29108E-02 -0.99358E-04 716 0.187E-01 0.421E-02
DAV: 17 -0.903080335705E+02 -0.42298E-03 -0.11221E-04 720 0.814E-02 0.275E-02
DAV: 18 -0.903087205576E+02 -0.68699E-03 -0.25374E-04 719 0.942E-02 0.142E-02
DAV: 19 -0.903091472884E+02 -0.42673E-03 -0.50813E-05 658 0.358E-02 0.126E-02
DAV: 20 -0.903093131882E+02 -0.16590E-03 -0.17324E-05 493 0.196E-02 0.718E-03
DAV: 21 -0.903094032616E+02 -0.90073E-04 -0.35696E-05 554 0.341E-02 0.609E-03
DAV: 22 -0.903094205391E+02 -0.17278E-04 -0.36344E-06 506 0.144E-02 0.426E-03
DAV: 23 -0.903094260704E+02 -0.55313E-05 -0.54732E-06 418 0.133E-02
1 F= -.90309426E+02 E0= -.90317665E+02 d E =0.247155E-01