./iterations/neb0_image01_iter135_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 0.366069724308E+03 0.36607E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.331209576333E+01 -0.36276E+03 -0.34962E+03 839 0.195E+02
DAV: 3 -0.956966930266E+02 -0.99009E+02 -0.98665E+02 674 0.116E+02
DAV: 4 -0.100209989340E+03 -0.45133E+01 -0.45032E+01 704 0.282E+01
DAV: 5 -0.100299978551E+03 -0.89989E-01 -0.89942E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916813926753E+02 0.86186E+01 -0.31123E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908770605976E+02 0.80433E+00 -0.18261E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.904991159007E+02 0.37794E+00 -0.55601E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904157226480E+02 0.83393E-01 -0.13559E-01 712 0.164E+00 0.425E-01
DAV: 10 -0.904107492695E+02 0.49734E-02 -0.45314E-02 720 0.123E+00 0.314E-01
DAV: 11 -0.904146761305E+02 -0.39269E-02 -0.65917E-03 608 0.487E-01 0.136E-01
DAV: 12 -0.904182918783E+02 -0.36157E-02 -0.69535E-03 629 0.486E-01 0.130E-01
DAV: 13 -0.904208655000E+02 -0.25736E-02 -0.15111E-03 848 0.311E-01 0.742E-02
DAV: 14 -0.904238265004E+02 -0.29610E-02 -0.13547E-03 642 0.176E-01 0.588E-02
DAV: 15 -0.904258009605E+02 -0.19745E-02 -0.37253E-04 672 0.114E-01 0.472E-02
DAV: 16 -0.904271667393E+02 -0.13658E-02 -0.79185E-04 661 0.168E-01 0.343E-02
DAV: 17 -0.904279353126E+02 -0.76857E-03 -0.13797E-04 709 0.842E-02 0.248E-02
DAV: 18 -0.904281727728E+02 -0.23746E-03 -0.77188E-05 672 0.436E-02 0.111E-02
DAV: 19 -0.904283559753E+02 -0.18320E-03 -0.47637E-05 636 0.339E-02 0.697E-03
DAV: 20 -0.904283744237E+02 -0.18448E-04 -0.34481E-06 520 0.141E-02 0.693E-03
DAV: 21 -0.904284147056E+02 -0.40282E-04 -0.70744E-06 401 0.149E-02 0.479E-03
DAV: 22 -0.904284255128E+02 -0.10807E-04 -0.43459E-06 477 0.142E-02 0.228E-03
DAV: 23 -0.904284272115E+02 -0.16987E-05 -0.23028E-06 536 0.904E-03
1 F= -.90428427E+02 E0= -.90433725E+02 d E =0.158924E-01