iterations/neb0_image06_iter123_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 0.375737366803E+03 0.37574E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.372658406894E+01 -0.37201E+03 -0.36007E+03 882 0.195E+02
DAV: 3 -0.955283773639E+02 -0.99255E+02 -0.98930E+02 640 0.117E+02
DAV: 4 -0.100300829038E+03 -0.47725E+01 -0.47606E+01 696 0.298E+01
DAV: 5 -0.100399325701E+03 -0.98497E-01 -0.98447E-01 736 0.382E+00 0.226E+01
DAV: 6 -0.918086682528E+02 0.85907E+01 -0.30784E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.909945099828E+02 0.81416E+00 -0.17523E+00 720 0.632E+00 0.480E+00
DAV: 8 -0.906178222520E+02 0.37669E+00 -0.49366E-01 728 0.397E+00 0.169E+00
DAV: 9 -0.905254179721E+02 0.92404E-01 -0.13825E-01 717 0.173E+00 0.418E-01
DAV: 10 -0.905166170574E+02 0.88009E-02 -0.37658E-02 800 0.102E+00 0.295E-01
DAV: 11 -0.905210297890E+02 -0.44127E-02 -0.14569E-02 602 0.753E-01 0.181E-01
DAV: 12 -0.905220338119E+02 -0.10040E-02 -0.26214E-03 698 0.325E-01 0.121E-01
DAV: 13 -0.905269496986E+02 -0.49159E-02 -0.48017E-03 678 0.452E-01 0.992E-02
DAV: 14 -0.905283019986E+02 -0.13523E-02 -0.64289E-04 776 0.175E-01 0.759E-02
DAV: 15 -0.905307768144E+02 -0.24748E-02 -0.11595E-03 669 0.219E-01 0.273E-02
DAV: 16 -0.905331266497E+02 -0.23498E-02 -0.33180E-04 650 0.934E-02 0.288E-02
DAV: 17 -0.905339913723E+02 -0.86472E-03 -0.54146E-05 629 0.369E-02 0.203E-02
DAV: 18 -0.905346504147E+02 -0.65904E-03 -0.18802E-04 626 0.836E-02 0.142E-02
DAV: 19 -0.905347660644E+02 -0.11565E-03 -0.18684E-05 568 0.335E-02 0.113E-02
DAV: 20 -0.905348379500E+02 -0.71886E-04 -0.23004E-05 504 0.273E-02 0.411E-03
DAV: 21 -0.905348976971E+02 -0.59747E-04 -0.53041E-06 431 0.119E-02 0.228E-03
DAV: 22 -0.905349192475E+02 -0.21550E-04 -0.36641E-06 461 0.951E-03 0.130E-03
DAV: 23 -0.905349258564E+02 -0.66089E-05 -0.10796E-06 441 0.521E-03
1 F= -.90534926E+02 E0= -.90543559E+02 d E =0.258989E-01