./iterations/neb0_image06_iter176_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 0.370601047775E+03 0.37060E+03 -0.14345E+04 640 0.799E+02
DAV: 2 0.330945735446E+01 -0.36729E+03 -0.35541E+03 877 0.193E+02
DAV: 3 -0.959745604951E+02 -0.99284E+02 -0.98942E+02 685 0.116E+02
DAV: 4 -0.100506231242E+03 -0.45317E+01 -0.45196E+01 720 0.280E+01
DAV: 5 -0.100595580887E+03 -0.89350E-01 -0.89308E-01 728 0.352E+00 0.225E+01
DAV: 6 -0.920535310453E+02 0.85420E+01 -0.30593E+01 701 0.301E+01 0.118E+01
DAV: 7 -0.912236188736E+02 0.82991E+00 -0.17196E+00 728 0.626E+00 0.480E+00
DAV: 8 -0.908459868460E+02 0.37763E+00 -0.55867E-01 728 0.415E+00 0.164E+00
DAV: 9 -0.907584050776E+02 0.87582E-01 -0.12581E-01 712 0.156E+00 0.422E-01
DAV: 10 -0.907480686442E+02 0.10336E-01 -0.37476E-02 736 0.953E-01 0.286E-01
DAV: 11 -0.907521584830E+02 -0.40898E-02 -0.92651E-03 596 0.488E-01 0.144E-01
DAV: 12 -0.907549480847E+02 -0.27896E-02 -0.20721E-03 626 0.249E-01 0.857E-02
DAV: 13 -0.907588136239E+02 -0.38655E-02 -0.13950E-03 639 0.169E-01 0.595E-02
DAV: 14 -0.907626938469E+02 -0.38802E-02 -0.12811E-03 720 0.249E-01 0.476E-02
DAV: 15 -0.907639742719E+02 -0.12804E-02 -0.27101E-04 760 0.103E-01 0.422E-02
DAV: 16 -0.907651220538E+02 -0.11478E-02 -0.41484E-04 693 0.127E-01 0.197E-02
DAV: 17 -0.907659730475E+02 -0.85099E-03 -0.12244E-04 712 0.587E-02 0.150E-02
DAV: 18 -0.907662982215E+02 -0.32517E-03 -0.35415E-05 592 0.252E-02 0.984E-03
DAV: 19 -0.907664148679E+02 -0.11665E-03 -0.18844E-05 472 0.239E-02 0.267E-03
DAV: 20 -0.907664436796E+02 -0.28812E-04 -0.53953E-06 504 0.125E-02 0.183E-03
DAV: 21 -0.907664679870E+02 -0.24307E-04 -0.37888E-06 404 0.772E-03 0.259E-03
DAV: 22 -0.907664710940E+02 -0.31069E-05 -0.67251E-07 504 0.450E-03
1 F= -.90766471E+02 E0= -.90771071E+02 d E =0.138005E-01