./iterations/neb0_image06_iter234_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 0.373186419260E+03 0.37319E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.426410473524E+01 -0.36892E+03 -0.35654E+03 866 0.194E+02
DAV: 3 -0.953811611722E+02 -0.99645E+02 -0.99275E+02 664 0.116E+02
DAV: 4 -0.100114002614E+03 -0.47328E+01 -0.47180E+01 720 0.287E+01
DAV: 5 -0.100212725824E+03 -0.98723E-01 -0.98671E-01 728 0.369E+00 0.225E+01
DAV: 6 -0.916967434678E+02 0.85160E+01 -0.29989E+01 696 0.300E+01 0.118E+01
DAV: 7 -0.908656507752E+02 0.83109E+00 -0.17357E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.904906709500E+02 0.37498E+00 -0.57736E-01 720 0.425E+00 0.165E+00
DAV: 9 -0.904045110522E+02 0.86160E-01 -0.12789E-01 712 0.161E+00 0.432E-01
DAV: 10 -0.903944703545E+02 0.10041E-01 -0.34330E-02 720 0.911E-01 0.285E-01
DAV: 11 -0.903983899421E+02 -0.39196E-02 -0.94745E-03 602 0.508E-01 0.150E-01
DAV: 12 -0.904008389508E+02 -0.24490E-02 -0.32066E-03 648 0.327E-01 0.853E-02
DAV: 13 -0.904045915800E+02 -0.37526E-02 -0.18062E-03 617 0.200E-01 0.749E-02
DAV: 14 -0.904077770810E+02 -0.31855E-02 -0.10406E-03 666 0.224E-01 0.363E-02
DAV: 15 -0.904098196099E+02 -0.20425E-02 -0.30442E-04 704 0.100E-01 0.360E-02
DAV: 16 -0.904114225428E+02 -0.16029E-02 -0.32716E-04 663 0.107E-01 0.173E-02
DAV: 17 -0.904122212447E+02 -0.79870E-03 -0.10563E-04 677 0.561E-02 0.127E-02
DAV: 18 -0.904124212660E+02 -0.20002E-03 -0.18113E-05 552 0.185E-02 0.791E-03
DAV: 19 -0.904125745490E+02 -0.15328E-03 -0.26419E-05 508 0.242E-02 0.247E-03
DAV: 20 -0.904125924868E+02 -0.17938E-04 -0.27700E-06 504 0.858E-03 0.223E-03
DAV: 21 -0.904126097967E+02 -0.17310E-04 -0.22526E-06 404 0.667E-03 0.782E-04
DAV: 22 -0.904126123813E+02 -0.25846E-05 -0.47301E-07 469 0.284E-03
1 F= -.90412612E+02 E0= -.90417121E+02 d E =0.135262E-01