./iterations/neb0_image02_iter237_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 0.366045334730E+03 0.36605E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.327537158400E+00 -0.36572E+03 -0.35525E+03 877 0.195E+02
DAV: 3 -0.956675874975E+02 -0.95995E+02 -0.95665E+02 632 0.115E+02
DAV: 4 -0.100222903713E+03 -0.45553E+01 -0.45448E+01 704 0.294E+01
DAV: 5 -0.100313670229E+03 -0.90767E-01 -0.90732E-01 736 0.373E+00 0.222E+01
DAV: 6 -0.916694507626E+02 0.86442E+01 -0.30977E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908550507348E+02 0.81440E+00 -0.18206E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904747928113E+02 0.38026E+00 -0.55545E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903893904350E+02 0.85402E-01 -0.13552E-01 720 0.166E+00 0.428E-01
DAV: 10 -0.903845659114E+02 0.48245E-02 -0.48628E-02 704 0.125E+00 0.328E-01
DAV: 11 -0.903882521661E+02 -0.36863E-02 -0.76601E-03 624 0.589E-01 0.119E-01
DAV: 12 -0.903912785318E+02 -0.30264E-02 -0.65191E-03 632 0.412E-01 0.133E-01
DAV: 13 -0.903939332299E+02 -0.26547E-02 -0.18566E-03 869 0.333E-01 0.814E-02
DAV: 14 -0.903970452168E+02 -0.31120E-02 -0.13080E-03 629 0.169E-01 0.690E-02
DAV: 15 -0.903988449057E+02 -0.17997E-02 -0.31922E-04 688 0.106E-01 0.508E-02
DAV: 16 -0.904003088814E+02 -0.14640E-02 -0.10078E-03 669 0.185E-01 0.406E-02
DAV: 17 -0.904009020011E+02 -0.59312E-03 -0.13923E-04 744 0.837E-02 0.260E-02
DAV: 18 -0.904012141391E+02 -0.31214E-03 -0.89886E-05 664 0.469E-02 0.841E-03
DAV: 19 -0.904013978837E+02 -0.18374E-03 -0.35911E-05 588 0.296E-02 0.681E-03
DAV: 20 -0.904014342626E+02 -0.36379E-04 -0.35594E-06 504 0.130E-02 0.559E-03
DAV: 21 -0.904014898612E+02 -0.55599E-04 -0.13906E-05 436 0.199E-02 0.324E-03
DAV: 22 -0.904014945676E+02 -0.47064E-05 -0.33973E-06 496 0.111E-02
1 F= -.90401495E+02 E0= -.90408306E+02 d E =0.204344E-01