iterations/neb0_image08_iter16_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 0.370487177050E+03 0.37049E+03 -0.14255E+04 624 0.799E+02
DAV: 2 0.236862383022E+01 -0.36812E+03 -0.35581E+03 877 0.195E+02
DAV: 3 -0.962623838489E+02 -0.98631E+02 -0.98298E+02 680 0.116E+02
DAV: 4 -0.100600403017E+03 -0.43380E+01 -0.43260E+01 704 0.276E+01
DAV: 5 -0.100686816833E+03 -0.86414E-01 -0.86363E-01 736 0.352E+00 0.222E+01
DAV: 6 -0.921433663510E+02 0.85435E+01 -0.30771E+01 704 0.301E+01 0.116E+01
DAV: 7 -0.913227642743E+02 0.82060E+00 -0.17053E+00 712 0.635E+00 0.475E+00
DAV: 8 -0.909578186304E+02 0.36495E+00 -0.57531E-01 712 0.413E+00 0.167E+00
DAV: 9 -0.908747815124E+02 0.83037E-01 -0.12776E-01 717 0.160E+00 0.441E-01
DAV: 10 -0.908656006569E+02 0.91809E-02 -0.31622E-02 744 0.877E-01 0.275E-01
DAV: 11 -0.908701281105E+02 -0.45275E-02 -0.12335E-02 613 0.657E-01 0.183E-01
DAV: 12 -0.908712338056E+02 -0.11057E-02 -0.21225E-03 704 0.286E-01 0.115E-01
DAV: 13 -0.908763154509E+02 -0.50816E-02 -0.54307E-03 643 0.470E-01 0.105E-01
DAV: 14 -0.908771507181E+02 -0.83527E-03 -0.83045E-04 816 0.228E-01 0.670E-02
DAV: 15 -0.908792622947E+02 -0.21116E-02 -0.12180E-03 661 0.221E-01 0.352E-02
DAV: 16 -0.908812550838E+02 -0.19928E-02 -0.29540E-04 685 0.106E-01 0.285E-02
DAV: 17 -0.908823722098E+02 -0.11171E-02 -0.12364E-04 680 0.532E-02 0.983E-03
DAV: 18 -0.908829774757E+02 -0.60527E-03 -0.78007E-05 583 0.415E-02 0.103E-02
DAV: 19 -0.908831394114E+02 -0.16194E-03 -0.15914E-05 504 0.266E-02 0.547E-03
DAV: 20 -0.908832084616E+02 -0.69050E-04 -0.15877E-05 458 0.174E-02 0.507E-03
DAV: 21 -0.908832169324E+02 -0.84708E-05 -0.16826E-06 533 0.105E-02
1 F= -.90883217E+02 E0= -.90887933E+02 d E =0.141488E-01