iterations/neb0_image04_iter171_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 0.363864136281E+03 0.36386E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.115615962189E+01 -0.36271E+03 -0.34983E+03 866 0.194E+02
DAV: 3 -0.960206917975E+02 -0.97177E+02 -0.96876E+02 666 0.115E+02
DAV: 4 -0.100257175123E+03 -0.42365E+01 -0.42269E+01 696 0.278E+01
DAV: 5 -0.100337443115E+03 -0.80268E-01 -0.80232E-01 736 0.347E+00 0.224E+01
DAV: 6 -0.916235100910E+02 0.87139E+01 -0.30973E+01 687 0.297E+01 0.117E+01
DAV: 7 -0.907530141064E+02 0.87050E+00 -0.17777E+00 704 0.628E+00 0.484E+00
DAV: 8 -0.903415901752E+02 0.41142E+00 -0.57404E-01 704 0.430E+00 0.163E+00
DAV: 9 -0.902471827260E+02 0.94407E-01 -0.12843E-01 712 0.178E+00 0.456E-01
DAV: 10 -0.902380623375E+02 0.91204E-02 -0.35386E-02 720 0.967E-01 0.325E-01
DAV: 11 -0.902407079369E+02 -0.26456E-02 -0.72003E-03 680 0.511E-01 0.161E-01
DAV: 12 -0.902433804813E+02 -0.26725E-02 -0.24816E-03 664 0.396E-01 0.108E-01
DAV: 13 -0.902475554851E+02 -0.41750E-02 -0.20973E-03 617 0.257E-01 0.974E-02
DAV: 14 -0.902516510199E+02 -0.40955E-02 -0.16055E-03 653 0.225E-01 0.413E-02
DAV: 15 -0.902533867525E+02 -0.17357E-02 -0.30823E-04 656 0.902E-02 0.377E-02
DAV: 16 -0.902556128303E+02 -0.22261E-02 -0.51320E-04 820 0.147E-01 0.298E-02
DAV: 17 -0.902564229724E+02 -0.81014E-03 -0.11342E-04 680 0.557E-02 0.265E-02
DAV: 18 -0.902569406530E+02 -0.51768E-03 -0.92321E-05 708 0.521E-02 0.111E-02
DAV: 19 -0.902572790983E+02 -0.33845E-03 -0.65275E-05 658 0.391E-02 0.792E-03
DAV: 20 -0.902573750467E+02 -0.95948E-04 -0.91088E-06 450 0.143E-02 0.704E-03
DAV: 21 -0.902574158476E+02 -0.40801E-04 -0.88484E-06 466 0.167E-02 0.310E-03
DAV: 22 -0.902574292238E+02 -0.13376E-04 -0.55821E-06 442 0.132E-02 0.251E-03
DAV: 23 -0.902574312605E+02 -0.20368E-05 -0.11335E-06 536 0.527E-03
1 F= -.90257431E+02 E0= -.90265997E+02 d E =0.256973E-01