./iterations/neb0_image09_iter81_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 0.374741354696E+03 0.37474E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.254556728601E+01 -0.37220E+03 -0.35982E+03 877 0.196E+02
DAV: 3 -0.966889826492E+02 -0.99235E+02 -0.98896E+02 656 0.117E+02
DAV: 4 -0.101228406954E+03 -0.45394E+01 -0.45301E+01 696 0.289E+01
DAV: 5 -0.101318318951E+03 -0.89912E-01 -0.89873E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926657804352E+02 0.86525E+01 -0.30851E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918002729233E+02 0.86551E+00 -0.17160E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914232031021E+02 0.37707E+00 -0.54432E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913404130778E+02 0.82790E-01 -0.13114E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913314307068E+02 0.89824E-02 -0.45960E-02 760 0.112E+00 0.305E-01
DAV: 11 -0.913359784064E+02 -0.45477E-02 -0.13436E-02 613 0.601E-01 0.148E-01
DAV: 12 -0.913389078489E+02 -0.29294E-02 -0.30434E-03 623 0.245E-01 0.113E-01
DAV: 13 -0.913427564083E+02 -0.38486E-02 -0.16081E-03 709 0.220E-01 0.446E-02
DAV: 14 -0.913462449961E+02 -0.34886E-02 -0.62839E-04 664 0.141E-01 0.331E-02
DAV: 15 -0.913476014619E+02 -0.13565E-02 -0.13471E-04 696 0.712E-02 0.352E-02
DAV: 16 -0.913489395354E+02 -0.13381E-02 -0.38990E-04 644 0.105E-01 0.220E-02
DAV: 17 -0.913491910298E+02 -0.25149E-03 -0.55793E-05 688 0.585E-02 0.133E-02
DAV: 18 -0.913494236788E+02 -0.23265E-03 -0.47929E-05 626 0.336E-02 0.118E-02
DAV: 19 -0.913495383697E+02 -0.11469E-03 -0.12762E-05 472 0.190E-02 0.529E-03
DAV: 20 -0.913495761865E+02 -0.37817E-04 -0.10342E-05 456 0.185E-02 0.208E-03
DAV: 21 -0.913495996068E+02 -0.23420E-04 -0.42428E-06 425 0.937E-03 0.247E-03
DAV: 22 -0.913496025609E+02 -0.29541E-05 -0.71097E-07 504 0.390E-03
1 F= -.91349603E+02 E0= -.91354339E+02 d E =0.142106E-01