./iterations/neb0_image01_iter241_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 0.365270500928E+03 0.36527E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.322397041172E+01 -0.36205E+03 -0.34888E+03 839 0.196E+02
DAV: 3 -0.954641965068E+02 -0.98688E+02 -0.98343E+02 645 0.116E+02
DAV: 4 -0.100211078777E+03 -0.47469E+01 -0.47347E+01 696 0.297E+01
DAV: 5 -0.100304934739E+03 -0.93856E-01 -0.93810E-01 736 0.377E+00 0.222E+01
DAV: 6 -0.916904788972E+02 0.86145E+01 -0.31029E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908911212254E+02 0.79936E+00 -0.18287E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905149193450E+02 0.37620E+00 -0.55124E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.904312701384E+02 0.83649E-01 -0.13404E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904265631683E+02 0.47070E-02 -0.46894E-02 728 0.124E+00 0.320E-01
DAV: 11 -0.904304802844E+02 -0.39171E-02 -0.70855E-03 608 0.527E-01 0.129E-01
DAV: 12 -0.904340533742E+02 -0.35731E-02 -0.71238E-03 637 0.486E-01 0.135E-01
DAV: 13 -0.904364456210E+02 -0.23922E-02 -0.17419E-03 869 0.318E-01 0.746E-02
DAV: 14 -0.904395336693E+02 -0.30880E-02 -0.13819E-03 642 0.182E-01 0.641E-02
DAV: 15 -0.904413397686E+02 -0.18061E-02 -0.34843E-04 680 0.111E-01 0.528E-02
DAV: 16 -0.904427508360E+02 -0.14111E-02 -0.96369E-04 666 0.190E-01 0.352E-02
DAV: 17 -0.904435274507E+02 -0.77661E-03 -0.13091E-04 672 0.748E-02 0.320E-02
DAV: 18 -0.904438256286E+02 -0.29818E-03 -0.98764E-05 672 0.527E-02 0.136E-02
DAV: 19 -0.904439899762E+02 -0.16435E-03 -0.56970E-05 653 0.393E-02 0.837E-03
DAV: 20 -0.904440224168E+02 -0.32441E-04 -0.41909E-06 512 0.161E-02 0.914E-03
DAV: 21 -0.904440602358E+02 -0.37819E-04 -0.75274E-06 409 0.173E-02 0.563E-03
DAV: 22 -0.904440677517E+02 -0.75159E-05 -0.65646E-06 496 0.151E-02
1 F= -.90444068E+02 E0= -.90449409E+02 d E =0.160228E-01