iterations/neb0_image07_iter118_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 0.376698092116E+03 0.37670E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.334110303094E+01 -0.37336E+03 -0.36094E+03 877 0.196E+02
DAV: 3 -0.963928810493E+02 -0.99734E+02 -0.99401E+02 656 0.117E+02
DAV: 4 -0.101014135976E+03 -0.46213E+01 -0.46096E+01 696 0.290E+01
DAV: 5 -0.101107251127E+03 -0.93115E-01 -0.93076E-01 728 0.371E+00 0.227E+01
DAV: 6 -0.924845280835E+02 0.86227E+01 -0.30684E+01 712 0.303E+01 0.119E+01
DAV: 7 -0.916234679459E+02 0.86106E+00 -0.16826E+00 720 0.614E+00 0.481E+00
DAV: 8 -0.912450114257E+02 0.37846E+00 -0.54993E-01 712 0.401E+00 0.164E+00
DAV: 9 -0.911614016110E+02 0.83610E-01 -0.13252E-01 720 0.156E+00 0.423E-01
DAV: 10 -0.911520801186E+02 0.93215E-02 -0.48118E-02 733 0.113E+00 0.312E-01
DAV: 11 -0.911571092372E+02 -0.50291E-02 -0.14929E-02 616 0.641E-01 0.160E-01
DAV: 12 -0.911597776496E+02 -0.26684E-02 -0.31029E-03 639 0.246E-01 0.145E-01
DAV: 13 -0.911638396446E+02 -0.40620E-02 -0.35703E-03 690 0.347E-01 0.644E-02
DAV: 14 -0.911661820917E+02 -0.23424E-02 -0.47737E-04 664 0.115E-01 0.548E-02
DAV: 15 -0.911687942287E+02 -0.26121E-02 -0.39914E-04 629 0.937E-02 0.264E-02
DAV: 16 -0.911695789078E+02 -0.78468E-03 -0.20654E-04 688 0.700E-02 0.240E-02
DAV: 17 -0.911701584447E+02 -0.57954E-03 -0.92301E-05 634 0.559E-02 0.102E-02
DAV: 18 -0.911703026751E+02 -0.14423E-03 -0.16572E-05 488 0.236E-02 0.669E-03
DAV: 19 -0.911703569799E+02 -0.54305E-04 -0.12186E-05 464 0.209E-02 0.249E-03
DAV: 20 -0.911704013684E+02 -0.44389E-04 -0.48844E-06 423 0.101E-02 0.279E-03
DAV: 21 -0.911704162470E+02 -0.14879E-04 -0.17216E-06 461 0.632E-03 0.153E-03
DAV: 22 -0.911704236554E+02 -0.74085E-05 -0.23267E-06 406 0.839E-03
1 F= -.91170424E+02 E0= -.91175579E+02 d E =0.154665E-01