./iterations/neb0_image07_iter193_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 0.371526720837E+03 0.37153E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.342350196441E+01 -0.36810E+03 -0.35559E+03 869 0.194E+02
DAV: 3 -0.964773561609E+02 -0.99901E+02 -0.99580E+02 680 0.116E+02
DAV: 4 -0.101097467742E+03 -0.46201E+01 -0.46078E+01 712 0.283E+01
DAV: 5 -0.101191313133E+03 -0.93845E-01 -0.93788E-01 728 0.361E+00 0.227E+01
DAV: 6 -0.925779072941E+02 0.86134E+01 -0.30602E+01 717 0.299E+01 0.119E+01
DAV: 7 -0.917256035709E+02 0.85230E+00 -0.17366E+00 712 0.618E+00 0.480E+00
DAV: 8 -0.913538295277E+02 0.37177E+00 -0.53141E-01 728 0.396E+00 0.163E+00
DAV: 9 -0.912721823898E+02 0.81647E-01 -0.13067E-01 728 0.157E+00 0.419E-01
DAV: 10 -0.912635327746E+02 0.86496E-02 -0.41425E-02 717 0.106E+00 0.293E-01
DAV: 11 -0.912678930876E+02 -0.43603E-02 -0.12155E-02 616 0.579E-01 0.145E-01
DAV: 12 -0.912706317503E+02 -0.27387E-02 -0.23815E-03 634 0.253E-01 0.921E-02
DAV: 13 -0.912746775503E+02 -0.40458E-02 -0.17486E-03 634 0.214E-01 0.530E-02
DAV: 14 -0.912770163479E+02 -0.23388E-02 -0.48549E-04 840 0.176E-01 0.331E-02
DAV: 15 -0.912792600434E+02 -0.22437E-02 -0.38837E-04 647 0.967E-02 0.304E-02
DAV: 16 -0.912802926673E+02 -0.10326E-02 -0.11634E-04 712 0.654E-02 0.134E-02
DAV: 17 -0.912811365477E+02 -0.84388E-03 -0.13919E-04 701 0.608E-02 0.154E-02
DAV: 18 -0.912813450329E+02 -0.20849E-03 -0.33002E-05 624 0.423E-02 0.680E-03
DAV: 19 -0.912814044773E+02 -0.59444E-04 -0.17434E-05 528 0.235E-02 0.660E-03
DAV: 20 -0.912814672993E+02 -0.62822E-04 -0.65370E-06 433 0.159E-02 0.310E-03
DAV: 21 -0.912814946923E+02 -0.27393E-04 -0.57458E-06 472 0.143E-02 0.196E-03
DAV: 22 -0.912815055809E+02 -0.10889E-04 -0.12879E-06 458 0.790E-03 0.951E-04
DAV: 23 -0.912815109783E+02 -0.53973E-05 -0.19146E-06 428 0.749E-03
1 F= -.91281511E+02 E0= -.91287122E+02 d E =0.168318E-01