iterations/neb0_image07_iter262_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 0.371732273973E+03 0.37173E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.374904517548E+01 -0.36798E+03 -0.35631E+03 869 0.194E+02
DAV: 3 -0.966871753263E+02 -0.10044E+03 -0.10012E+03 693 0.116E+02
DAV: 4 -0.101196907805E+03 -0.45097E+01 -0.44985E+01 704 0.280E+01
DAV: 5 -0.101285529563E+03 -0.88622E-01 -0.88572E-01 736 0.354E+00 0.227E+01
DAV: 6 -0.926242764424E+02 0.86613E+01 -0.30934E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917667698097E+02 0.85751E+00 -0.17253E+00 736 0.616E+00 0.480E+00
DAV: 8 -0.913907830182E+02 0.37599E+00 -0.54037E-01 736 0.396E+00 0.162E+00
DAV: 9 -0.913084146666E+02 0.82368E-01 -0.12956E-01 712 0.154E+00 0.421E-01
DAV: 10 -0.912992810415E+02 0.91336E-02 -0.43210E-02 741 0.106E+00 0.297E-01
DAV: 11 -0.913039352959E+02 -0.46543E-02 -0.13514E-02 608 0.598E-01 0.155E-01
DAV: 12 -0.913069406411E+02 -0.30053E-02 -0.28603E-03 623 0.259E-01 0.950E-02
DAV: 13 -0.913105824807E+02 -0.36418E-02 -0.15677E-03 636 0.195E-01 0.489E-02
DAV: 14 -0.913143580674E+02 -0.37756E-02 -0.11380E-03 711 0.237E-01 0.508E-02
DAV: 15 -0.913154115584E+02 -0.10535E-02 -0.36712E-04 696 0.116E-01 0.352E-02
DAV: 16 -0.913161609743E+02 -0.74942E-03 -0.17590E-04 717 0.801E-02 0.123E-02
DAV: 17 -0.913170936693E+02 -0.93270E-03 -0.13690E-04 719 0.610E-02 0.160E-02
DAV: 18 -0.913173325965E+02 -0.23893E-03 -0.22776E-05 552 0.334E-02 0.809E-03
DAV: 19 -0.913174589221E+02 -0.12633E-03 -0.33068E-05 634 0.293E-02 0.563E-03
DAV: 20 -0.913174822358E+02 -0.23314E-04 -0.23375E-06 504 0.131E-02 0.256E-03
DAV: 21 -0.913175079253E+02 -0.25690E-04 -0.39279E-06 409 0.975E-03 0.927E-04
DAV: 22 -0.913175172162E+02 -0.92909E-05 -0.10759E-06 469 0.393E-03
1 F= -.91317517E+02 E0= -.91322273E+02 d E =0.142684E-01