./iterations/neb0_image04_iter83_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 0.370706306187E+03 0.37071E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.440596273465E+01 -0.36630E+03 -0.35352E+03 850 0.195E+02
DAV: 3 -0.954461900867E+02 -0.99852E+02 -0.99539E+02 685 0.116E+02
DAV: 4 -0.997987614577E+02 -0.43526E+01 -0.43423E+01 712 0.278E+01
DAV: 5 -0.998819312284E+02 -0.83170E-01 -0.83136E-01 720 0.348E+00 0.222E+01
DAV: 6 -0.913984773238E+02 0.84835E+01 -0.29918E+01 671 0.294E+01 0.116E+01
DAV: 7 -0.905424357442E+02 0.85604E+00 -0.17298E+00 720 0.627E+00 0.479E+00
DAV: 8 -0.901435217154E+02 0.39891E+00 -0.56111E-01 712 0.424E+00 0.164E+00
DAV: 9 -0.900495325933E+02 0.93989E-01 -0.13406E-01 712 0.172E+00 0.435E-01
DAV: 10 -0.900402978417E+02 0.92348E-02 -0.57076E-02 712 0.133E+00 0.346E-01
DAV: 11 -0.900443879958E+02 -0.40902E-02 -0.12604E-02 618 0.650E-01 0.134E-01
DAV: 12 -0.900467733392E+02 -0.23853E-02 -0.46442E-03 642 0.307E-01 0.134E-01
DAV: 13 -0.900503221283E+02 -0.35488E-02 -0.19090E-03 842 0.342E-01 0.737E-02
DAV: 14 -0.900537273568E+02 -0.34052E-02 -0.11770E-03 645 0.161E-01 0.585E-02
DAV: 15 -0.900563578490E+02 -0.26305E-02 -0.39293E-04 722 0.113E-01 0.402E-02
DAV: 16 -0.900577862238E+02 -0.14284E-02 -0.53947E-04 688 0.125E-01 0.309E-02
DAV: 17 -0.900586790958E+02 -0.89287E-03 -0.20109E-04 855 0.923E-02 0.137E-02
DAV: 18 -0.900589527500E+02 -0.27365E-03 -0.37016E-05 608 0.348E-02 0.755E-03
DAV: 19 -0.900591223575E+02 -0.16961E-03 -0.29117E-05 502 0.229E-02 0.387E-03
DAV: 20 -0.900591387226E+02 -0.16365E-04 -0.24383E-06 528 0.118E-02 0.358E-03
DAV: 21 -0.900591792449E+02 -0.40522E-04 -0.72028E-06 395 0.143E-02 0.341E-03
DAV: 22 -0.900591840837E+02 -0.48387E-05 -0.13245E-06 488 0.767E-03
1 F= -.90059184E+02 E0= -.90063380E+02 d E =0.125887E-01