iterations/neb0_image08_iter291_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 0.375178318005E+03 0.37518E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.368690413094E+01 -0.37149E+03 -0.36005E+03 877 0.196E+02
DAV: 3 -0.964448645311E+02 -0.10013E+03 -0.99778E+02 648 0.117E+02
DAV: 4 -0.101249526720E+03 -0.48047E+01 -0.47935E+01 704 0.299E+01
DAV: 5 -0.101344707330E+03 -0.95181E-01 -0.95141E-01 728 0.381E+00 0.228E+01
DAV: 6 -0.926552557405E+02 0.86895E+01 -0.30872E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917848175785E+02 0.87044E+00 -0.17126E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914111862868E+02 0.37363E+00 -0.53862E-01 728 0.397E+00 0.163E+00
DAV: 9 -0.913292920450E+02 0.81894E-01 -0.12986E-01 736 0.154E+00 0.421E-01
DAV: 10 -0.913207276740E+02 0.85644E-02 -0.44530E-02 749 0.107E+00 0.303E-01
DAV: 11 -0.913256572993E+02 -0.49296E-02 -0.14451E-02 608 0.620E-01 0.159E-01
DAV: 12 -0.913284805513E+02 -0.28233E-02 -0.28181E-03 626 0.236E-01 0.106E-01
DAV: 13 -0.913323308990E+02 -0.38503E-02 -0.25502E-03 639 0.257E-01 0.564E-02
DAV: 14 -0.913356603027E+02 -0.33294E-02 -0.10031E-03 685 0.193E-01 0.326E-02
DAV: 15 -0.913370632768E+02 -0.14030E-02 -0.21868E-04 672 0.798E-02 0.227E-02
DAV: 16 -0.913378721520E+02 -0.80888E-03 -0.13156E-04 717 0.714E-02 0.107E-02
DAV: 17 -0.913385219430E+02 -0.64979E-03 -0.74521E-05 650 0.362E-02 0.126E-02
DAV: 18 -0.913386586401E+02 -0.13670E-03 -0.85152E-06 496 0.194E-02 0.747E-03
DAV: 19 -0.913388116275E+02 -0.15299E-03 -0.45929E-05 603 0.361E-02 0.721E-03
DAV: 20 -0.913388191897E+02 -0.75622E-05 -0.42422E-06 528 0.190E-02
1 F= -.91338819E+02 E0= -.91343470E+02 d E =0.139526E-01