./iterations/neb0_image01_iter171_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 0.365690880820E+03 0.36569E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.319132556948E+01 -0.36250E+03 -0.34960E+03 839 0.196E+02
DAV: 3 -0.955883893315E+02 -0.98780E+02 -0.98432E+02 669 0.116E+02
DAV: 4 -0.100221140097E+03 -0.46328E+01 -0.46217E+01 680 0.287E+01
DAV: 5 -0.100314564048E+03 -0.93424E-01 -0.93372E-01 728 0.363E+00 0.222E+01
DAV: 6 -0.916845199230E+02 0.86300E+01 -0.31021E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908816019660E+02 0.80292E+00 -0.18274E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905067082231E+02 0.37489E+00 -0.55255E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904248562520E+02 0.81852E-01 -0.13172E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904202938705E+02 0.45624E-02 -0.47303E-02 720 0.124E+00 0.323E-01
DAV: 11 -0.904244750018E+02 -0.41811E-02 -0.83022E-03 608 0.594E-01 0.118E-01
DAV: 12 -0.904277223730E+02 -0.32474E-02 -0.62694E-03 629 0.430E-01 0.130E-01
DAV: 13 -0.904302005129E+02 -0.24781E-02 -0.15773E-03 861 0.305E-01 0.763E-02
DAV: 14 -0.904334379732E+02 -0.32375E-02 -0.15504E-03 639 0.202E-01 0.720E-02
DAV: 15 -0.904349280755E+02 -0.14901E-02 -0.28520E-04 720 0.116E-01 0.559E-02
DAV: 16 -0.904362875686E+02 -0.13595E-02 -0.11572E-03 661 0.210E-01 0.402E-02
DAV: 17 -0.904371133797E+02 -0.82581E-03 -0.15157E-04 658 0.840E-02 0.345E-02
DAV: 18 -0.904374228439E+02 -0.30946E-03 -0.65778E-05 688 0.398E-02 0.224E-02
DAV: 19 -0.904376366784E+02 -0.21383E-03 -0.12861E-04 625 0.669E-02 0.102E-02
DAV: 20 -0.904376624268E+02 -0.25748E-04 -0.15261E-05 528 0.249E-02 0.106E-02
DAV: 21 -0.904376984351E+02 -0.36008E-04 -0.86187E-06 407 0.176E-02 0.799E-03
DAV: 22 -0.904377158641E+02 -0.17429E-04 -0.55230E-06 474 0.194E-02 0.398E-03
DAV: 23 -0.904377203115E+02 -0.44474E-05 -0.88134E-06 488 0.164E-02
1 F= -.90437720E+02 E0= -.90443471E+02 d E =0.172509E-01