./iterations/neb0_image01_iter137_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 0.365830272259E+03 0.36583E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.326862332091E+01 -0.36256E+03 -0.34952E+03 836 0.195E+02
DAV: 3 -0.956366346374E+02 -0.98905E+02 -0.98559E+02 666 0.116E+02
DAV: 4 -0.100201592795E+03 -0.45650E+01 -0.45543E+01 704 0.287E+01
DAV: 5 -0.100292295845E+03 -0.90703E-01 -0.90656E-01 736 0.361E+00 0.222E+01
DAV: 6 -0.916773613490E+02 0.86149E+01 -0.31130E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908771761593E+02 0.80019E+00 -0.18232E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905004069467E+02 0.37677E+00 -0.55377E-01 712 0.427E+00 0.167E+00
DAV: 9 -0.904173466688E+02 0.83060E-01 -0.13521E-01 712 0.164E+00 0.424E-01
DAV: 10 -0.904124879951E+02 0.48587E-02 -0.46038E-02 712 0.124E+00 0.317E-01
DAV: 11 -0.904163838683E+02 -0.38959E-02 -0.67261E-03 608 0.502E-01 0.134E-01
DAV: 12 -0.904200256175E+02 -0.36417E-02 -0.71364E-03 632 0.488E-01 0.133E-01
DAV: 13 -0.904225375905E+02 -0.25120E-02 -0.16322E-03 848 0.319E-01 0.744E-02
DAV: 14 -0.904255043210E+02 -0.29667E-02 -0.13788E-03 628 0.180E-01 0.619E-02
DAV: 15 -0.904274095095E+02 -0.19052E-02 -0.36548E-04 680 0.113E-01 0.499E-02
DAV: 16 -0.904287767782E+02 -0.13673E-02 -0.88518E-04 661 0.179E-01 0.355E-02
DAV: 17 -0.904295514633E+02 -0.77469E-03 -0.13125E-04 669 0.801E-02 0.283E-02
DAV: 18 -0.904298299620E+02 -0.27850E-03 -0.10290E-04 664 0.521E-02 0.112E-02
DAV: 19 -0.904299885045E+02 -0.15854E-03 -0.42483E-05 647 0.325E-02 0.722E-03
DAV: 20 -0.904300169981E+02 -0.28494E-04 -0.31759E-06 504 0.141E-02 0.793E-03
DAV: 21 -0.904300557839E+02 -0.38786E-04 -0.69469E-06 401 0.156E-02 0.483E-03
DAV: 22 -0.904300655488E+02 -0.97649E-05 -0.54167E-06 480 0.143E-02
1 F= -.90430066E+02 E0= -.90435546E+02 d E =0.164417E-01