iterations/neb0_image07_iter64_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 0.378464296244E+03 0.37846E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.442892439085E+01 -0.37404E+03 -0.36070E+03 869 0.196E+02
DAV: 3 -0.963948365577E+02 -0.10082E+03 -0.10049E+03 672 0.117E+02
DAV: 4 -0.100876195290E+03 -0.44814E+01 -0.44709E+01 704 0.284E+01
DAV: 5 -0.100964012509E+03 -0.87817E-01 -0.87780E-01 720 0.358E+00 0.228E+01
DAV: 6 -0.923205510873E+02 0.86435E+01 -0.30654E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.914357100358E+02 0.88484E+00 -0.16724E+00 736 0.616E+00 0.483E+00
DAV: 8 -0.910504772503E+02 0.38523E+00 -0.56529E-01 696 0.411E+00 0.163E+00
DAV: 9 -0.909654952899E+02 0.84982E-01 -0.13278E-01 712 0.156E+00 0.429E-01
DAV: 10 -0.909554690110E+02 0.10026E-01 -0.48416E-02 744 0.113E+00 0.313E-01
DAV: 11 -0.909597706473E+02 -0.43016E-02 -0.12155E-02 613 0.581E-01 0.137E-01
DAV: 12 -0.909629259524E+02 -0.31553E-02 -0.35774E-03 608 0.284E-01 0.135E-01
DAV: 13 -0.909666041955E+02 -0.36782E-02 -0.17461E-03 741 0.265E-01 0.529E-02
DAV: 14 -0.909692932585E+02 -0.26891E-02 -0.67354E-04 656 0.119E-01 0.488E-02
DAV: 15 -0.909720819828E+02 -0.27887E-02 -0.29399E-04 634 0.820E-02 0.359E-02
DAV: 16 -0.909732116133E+02 -0.11296E-02 -0.33067E-04 677 0.918E-02 0.217E-02
DAV: 17 -0.909738259100E+02 -0.61430E-03 -0.86731E-05 653 0.560E-02 0.135E-02
DAV: 18 -0.909739981726E+02 -0.17226E-03 -0.31184E-05 656 0.270E-02 0.972E-03
DAV: 19 -0.909740728885E+02 -0.74716E-04 -0.16410E-05 450 0.295E-02 0.358E-03
DAV: 20 -0.909740897258E+02 -0.16837E-04 -0.73483E-06 536 0.149E-02 0.403E-03
DAV: 21 -0.909741132695E+02 -0.23544E-04 -0.29945E-06 415 0.109E-02 0.206E-03
DAV: 22 -0.909741273296E+02 -0.14060E-04 -0.24330E-06 434 0.767E-03 0.131E-03
DAV: 23 -0.909741310746E+02 -0.37451E-05 -0.59765E-07 455 0.413E-03
1 F= -.90974131E+02 E0= -.90979278E+02 d E =0.154423E-01