iterations/neb0_image03_iter253_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 0.362913173777E+03 0.36291E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.584326325777E+00 -0.36233E+03 -0.35192E+03 853 0.195E+02
DAV: 3 -0.960716032641E+02 -0.96656E+02 -0.96358E+02 669 0.115E+02
DAV: 4 -0.100279808936E+03 -0.42082E+01 -0.41986E+01 712 0.276E+01
DAV: 5 -0.100361708729E+03 -0.81900E-01 -0.81873E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917108899817E+02 0.86508E+01 -0.31331E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908763831111E+02 0.83451E+00 -0.17873E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904857238300E+02 0.39066E+00 -0.55561E-01 696 0.426E+00 0.169E+00
DAV: 9 -0.903942846161E+02 0.91439E-01 -0.13219E-01 712 0.166E+00 0.434E-01
DAV: 10 -0.903880496494E+02 0.62350E-02 -0.48671E-02 701 0.122E+00 0.336E-01
DAV: 11 -0.903925204177E+02 -0.44708E-02 -0.87596E-03 672 0.652E-01 0.119E-01
DAV: 12 -0.903955963262E+02 -0.30759E-02 -0.50510E-03 632 0.328E-01 0.120E-01
DAV: 13 -0.903997593252E+02 -0.41630E-02 -0.16601E-03 829 0.293E-01 0.881E-02
DAV: 14 -0.904027696281E+02 -0.30103E-02 -0.11305E-03 664 0.150E-01 0.551E-02
DAV: 15 -0.904050980262E+02 -0.23284E-02 -0.39576E-04 658 0.102E-01 0.285E-02
DAV: 16 -0.904063735707E+02 -0.12755E-02 -0.27917E-04 672 0.845E-02 0.227E-02
DAV: 17 -0.904071600290E+02 -0.78646E-03 -0.13149E-04 671 0.661E-02 0.100E-02
DAV: 18 -0.904073771191E+02 -0.21709E-03 -0.47592E-05 688 0.350E-02 0.125E-02
DAV: 19 -0.904074417932E+02 -0.64674E-04 -0.10578E-05 472 0.237E-02 0.517E-03
DAV: 20 -0.904075143636E+02 -0.72570E-04 -0.23175E-05 554 0.253E-02 0.589E-03
DAV: 21 -0.904075460812E+02 -0.31718E-04 -0.61379E-06 485 0.182E-02 0.164E-03
DAV: 22 -0.904075525269E+02 -0.64457E-05 -0.26307E-06 528 0.766E-03
1 F= -.90407553E+02 E0= -.90415042E+02 d E =0.224674E-01