./iterations/neb0_image09_iter124_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 0.374441551851E+03 0.37444E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.247691452210E+01 -0.37196E+03 -0.35965E+03 877 0.196E+02
DAV: 3 -0.966862725455E+02 -0.99163E+02 -0.98826E+02 656 0.117E+02
DAV: 4 -0.101226000596E+03 -0.45397E+01 -0.45302E+01 704 0.289E+01
DAV: 5 -0.101315578635E+03 -0.89578E-01 -0.89539E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926674673671E+02 0.86481E+01 -0.30873E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918037677524E+02 0.86370E+00 -0.17099E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914277002943E+02 0.37607E+00 -0.54346E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913453561741E+02 0.82344E-01 -0.13089E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913365472053E+02 0.88090E-02 -0.45396E-02 776 0.111E+00 0.303E-01
DAV: 11 -0.913410243230E+02 -0.44771E-02 -0.12938E-02 616 0.592E-01 0.144E-01
DAV: 12 -0.913439770132E+02 -0.29527E-02 -0.29489E-03 623 0.246E-01 0.109E-01
DAV: 13 -0.913477536680E+02 -0.37767E-02 -0.14581E-03 680 0.207E-01 0.455E-02
DAV: 14 -0.913513459550E+02 -0.35923E-02 -0.73833E-04 669 0.157E-01 0.352E-02
DAV: 15 -0.913524403459E+02 -0.10944E-02 -0.13182E-04 696 0.777E-02 0.352E-02
DAV: 16 -0.913538337206E+02 -0.13934E-02 -0.40304E-04 633 0.110E-01 0.220E-02
DAV: 17 -0.913541600060E+02 -0.32629E-03 -0.71747E-05 752 0.647E-02 0.121E-02
DAV: 18 -0.913543853948E+02 -0.22539E-03 -0.41844E-05 637 0.311E-02 0.117E-02
DAV: 19 -0.913545227751E+02 -0.13738E-03 -0.15773E-05 480 0.200E-02 0.492E-03
DAV: 20 -0.913545588519E+02 -0.36077E-04 -0.85151E-06 456 0.172E-02 0.187E-03
DAV: 21 -0.913545829081E+02 -0.24056E-04 -0.47803E-06 428 0.106E-02 0.250E-03
DAV: 22 -0.913545873388E+02 -0.44307E-05 -0.93931E-07 496 0.471E-03
1 F= -.91354587E+02 E0= -.91359420E+02 d E =0.144989E-01