iterations/neb0_image02_iter139_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 0.364143980526E+03 0.36414E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.297262011976E+01 -0.36117E+03 -0.34794E+03 845 0.195E+02
DAV: 3 -0.956114464133E+02 -0.98584E+02 -0.98261E+02 664 0.116E+02
DAV: 4 -0.100203978957E+03 -0.45925E+01 -0.45817E+01 712 0.286E+01
DAV: 5 -0.100293268958E+03 -0.89290E-01 -0.89252E-01 736 0.358E+00 0.222E+01
DAV: 6 -0.916727180770E+02 0.86206E+01 -0.31040E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908599925565E+02 0.81273E+00 -0.18408E+00 704 0.636E+00 0.483E+00
DAV: 8 -0.904781546709E+02 0.38184E+00 -0.55552E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903901742689E+02 0.87980E-01 -0.13850E-01 712 0.166E+00 0.432E-01
DAV: 10 -0.903844785933E+02 0.56957E-02 -0.50362E-02 704 0.133E+00 0.330E-01
DAV: 11 -0.903878345265E+02 -0.33559E-02 -0.72255E-03 608 0.511E-01 0.155E-01
DAV: 12 -0.903913078414E+02 -0.34733E-02 -0.87999E-03 624 0.521E-01 0.143E-01
DAV: 13 -0.903939637980E+02 -0.26560E-02 -0.20391E-03 912 0.368E-01 0.837E-02
DAV: 14 -0.903969497925E+02 -0.29860E-02 -0.14130E-03 648 0.179E-01 0.650E-02
DAV: 15 -0.903991286539E+02 -0.21789E-02 -0.40214E-04 664 0.108E-01 0.497E-02
DAV: 16 -0.904006163524E+02 -0.14877E-02 -0.78853E-04 664 0.164E-01 0.325E-02
DAV: 17 -0.904014880149E+02 -0.87166E-03 -0.13732E-04 672 0.743E-02 0.264E-02
DAV: 18 -0.904017098513E+02 -0.22184E-03 -0.68599E-05 680 0.417E-02 0.113E-02
DAV: 19 -0.904018863117E+02 -0.17646E-03 -0.38798E-05 626 0.321E-02 0.550E-03
DAV: 20 -0.904019281479E+02 -0.41836E-04 -0.39941E-06 480 0.150E-02 0.603E-03
DAV: 21 -0.904019571860E+02 -0.29038E-04 -0.64978E-06 440 0.152E-02 0.665E-03
DAV: 22 -0.904019799077E+02 -0.22722E-04 -0.47802E-06 464 0.150E-02 0.318E-03
DAV: 23 -0.904019844427E+02 -0.45350E-05 -0.66328E-06 472 0.141E-02
1 F= -.90401984E+02 E0= -.90408201E+02 d E =0.186482E-01