iterations/neb0_image01_iter219_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 0.365436070442E+03 0.36544E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.322160167125E+01 -0.36221E+03 -0.34917E+03 839 0.196E+02
DAV: 3 -0.954190404456E+02 -0.98641E+02 -0.98296E+02 645 0.116E+02
DAV: 4 -0.100218096876E+03 -0.47991E+01 -0.47873E+01 704 0.297E+01
DAV: 5 -0.100314099895E+03 -0.96003E-01 -0.95956E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916927525250E+02 0.86213E+01 -0.30979E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908888976121E+02 0.80385E+00 -0.18225E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905125481052E+02 0.37635E+00 -0.55383E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904299190206E+02 0.82629E-01 -0.13288E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904253371190E+02 0.45819E-02 -0.46980E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904293472220E+02 -0.40101E-02 -0.74019E-03 608 0.546E-01 0.124E-01
DAV: 12 -0.904328837708E+02 -0.35365E-02 -0.69030E-03 629 0.467E-01 0.135E-01
DAV: 13 -0.904352599586E+02 -0.23762E-02 -0.17648E-03 861 0.321E-01 0.748E-02
DAV: 14 -0.904383730455E+02 -0.31131E-02 -0.14238E-03 642 0.187E-01 0.673E-02
DAV: 15 -0.904400845535E+02 -0.17115E-02 -0.31743E-04 680 0.110E-01 0.545E-02
DAV: 16 -0.904414829455E+02 -0.13984E-02 -0.10457E-03 669 0.198E-01 0.371E-02
DAV: 17 -0.904422678464E+02 -0.78490E-03 -0.13462E-04 672 0.777E-02 0.330E-02
DAV: 18 -0.904425925296E+02 -0.32468E-03 -0.10433E-04 664 0.531E-02 0.151E-02
DAV: 19 -0.904427436076E+02 -0.15108E-03 -0.66155E-05 661 0.433E-02 0.885E-03
DAV: 20 -0.904427783864E+02 -0.34779E-04 -0.45341E-06 488 0.152E-02 0.946E-03
DAV: 21 -0.904428171334E+02 -0.38747E-04 -0.78923E-06 412 0.166E-02 0.573E-03
DAV: 22 -0.904428237217E+02 -0.65883E-05 -0.64733E-06 480 0.155E-02
1 F= -.90442824E+02 E0= -.90448341E+02 d E =0.165528E-01