./iterations/neb0_image02_iter260_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 0.366477237358E+03 0.36648E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.290086004731E+00 -0.36619E+03 -0.35553E+03 877 0.196E+02
DAV: 3 -0.956516038756E+02 -0.95942E+02 -0.95612E+02 621 0.115E+02
DAV: 4 -0.100268185680E+03 -0.46166E+01 -0.46063E+01 712 0.297E+01
DAV: 5 -0.100360132378E+03 -0.91947E-01 -0.91914E-01 736 0.377E+00 0.223E+01
DAV: 6 -0.916844118570E+02 0.86757E+01 -0.30913E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908562007339E+02 0.82821E+00 -0.18217E+00 720 0.636E+00 0.485E+00
DAV: 8 -0.904750107894E+02 0.38119E+00 -0.55772E-01 704 0.432E+00 0.169E+00
DAV: 9 -0.903904169321E+02 0.84594E-01 -0.13462E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903859149729E+02 0.45020E-02 -0.48706E-02 712 0.125E+00 0.328E-01
DAV: 11 -0.903896761828E+02 -0.37612E-02 -0.77268E-03 624 0.593E-01 0.119E-01
DAV: 12 -0.903927764743E+02 -0.31003E-02 -0.67214E-03 632 0.423E-01 0.136E-01
DAV: 13 -0.903953090403E+02 -0.25326E-02 -0.19628E-03 877 0.337E-01 0.803E-02
DAV: 14 -0.903984165228E+02 -0.31075E-02 -0.13309E-03 612 0.174E-01 0.708E-02
DAV: 15 -0.904001602871E+02 -0.17438E-02 -0.29062E-04 688 0.101E-01 0.535E-02
DAV: 16 -0.904016438097E+02 -0.14835E-02 -0.10393E-03 669 0.191E-01 0.392E-02
DAV: 17 -0.904022201509E+02 -0.57634E-03 -0.12132E-04 680 0.796E-02 0.288E-02
DAV: 18 -0.904025578919E+02 -0.33774E-03 -0.11995E-04 645 0.552E-02 0.864E-03
DAV: 19 -0.904027245970E+02 -0.16671E-03 -0.29180E-05 543 0.273E-02 0.606E-03
DAV: 20 -0.904027629251E+02 -0.38328E-04 -0.45078E-06 496 0.126E-02 0.636E-03
DAV: 21 -0.904028089257E+02 -0.46001E-04 -0.10253E-05 420 0.188E-02 0.330E-03
DAV: 22 -0.904028129573E+02 -0.40316E-05 -0.46903E-06 504 0.124E-02
1 F= -.90402813E+02 E0= -.90409230E+02 d E =0.192506E-01