./iterations/neb0_image01_iter200_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 0.365856325461E+03 0.36586E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.324539780420E+01 -0.36261E+03 -0.34961E+03 839 0.196E+02
DAV: 3 -0.954905029623E+02 -0.98736E+02 -0.98392E+02 653 0.116E+02
DAV: 4 -0.100237296372E+03 -0.47468E+01 -0.47351E+01 696 0.292E+01
DAV: 5 -0.100332460986E+03 -0.95165E-01 -0.95113E-01 728 0.371E+00 0.222E+01
DAV: 6 -0.916958217865E+02 0.86366E+01 -0.30914E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908862721334E+02 0.80955E+00 -0.18296E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905096688100E+02 0.37660E+00 -0.55405E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904274506219E+02 0.82218E-01 -0.13317E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904228947578E+02 0.45559E-02 -0.46912E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904269564993E+02 -0.40617E-02 -0.76863E-03 608 0.554E-01 0.123E-01
DAV: 12 -0.904303737876E+02 -0.34173E-02 -0.65014E-03 637 0.451E-01 0.131E-01
DAV: 13 -0.904327887021E+02 -0.24149E-02 -0.15875E-03 861 0.308E-01 0.742E-02
DAV: 14 -0.904359639085E+02 -0.31752E-02 -0.14312E-03 634 0.190E-01 0.660E-02
DAV: 15 -0.904376194034E+02 -0.16555E-02 -0.30703E-04 680 0.111E-01 0.530E-02
DAV: 16 -0.904390137612E+02 -0.13944E-02 -0.10323E-03 669 0.198E-01 0.377E-02
DAV: 17 -0.904398106395E+02 -0.79688E-03 -0.13762E-04 661 0.804E-02 0.330E-02
DAV: 18 -0.904401172334E+02 -0.30659E-03 -0.86362E-05 672 0.472E-02 0.169E-02
DAV: 19 -0.904402992609E+02 -0.18203E-03 -0.77794E-05 639 0.482E-02 0.842E-03
DAV: 20 -0.904403296303E+02 -0.30369E-04 -0.73987E-06 512 0.193E-02 0.935E-03
DAV: 21 -0.904403660730E+02 -0.36443E-04 -0.66238E-06 404 0.143E-02 0.706E-03
DAV: 22 -0.904403781462E+02 -0.12073E-04 -0.48341E-06 480 0.170E-02 0.304E-03
DAV: 23 -0.904403810880E+02 -0.29418E-05 -0.60913E-06 496 0.144E-02
1 F= -.90440381E+02 E0= -.90445733E+02 d E =0.160567E-01