iterations/neb0_image07_iter42_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 0.375529216713E+03 0.37553E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.391817548778E+01 -0.37161E+03 -0.35853E+03 861 0.195E+02
DAV: 3 -0.961809553892E+02 -0.10010E+03 -0.99759E+02 656 0.117E+02
DAV: 4 -0.100721048443E+03 -0.45401E+01 -0.45285E+01 712 0.290E+01
DAV: 5 -0.100810808127E+03 -0.89760E-01 -0.89729E-01 728 0.366E+00 0.228E+01
DAV: 6 -0.921543020505E+02 0.86565E+01 -0.30505E+01 693 0.304E+01 0.119E+01
DAV: 7 -0.912780718132E+02 0.87623E+00 -0.16926E+00 712 0.618E+00 0.481E+00
DAV: 8 -0.908973574691E+02 0.38071E+00 -0.55153E-01 704 0.407E+00 0.164E+00
DAV: 9 -0.908124027700E+02 0.84955E-01 -0.13176E-01 712 0.160E+00 0.432E-01
DAV: 10 -0.908028734712E+02 0.95293E-02 -0.42797E-02 736 0.107E+00 0.301E-01
DAV: 11 -0.908080005936E+02 -0.51271E-02 -0.14838E-02 613 0.701E-01 0.182E-01
DAV: 12 -0.908093778961E+02 -0.13773E-02 -0.22777E-03 658 0.257E-01 0.129E-01
DAV: 13 -0.908139537172E+02 -0.45758E-02 -0.47246E-03 622 0.419E-01 0.818E-02
DAV: 14 -0.908154857251E+02 -0.15320E-02 -0.70077E-04 704 0.182E-01 0.528E-02
DAV: 15 -0.908187476002E+02 -0.32619E-02 -0.94613E-04 692 0.187E-01 0.345E-02
DAV: 16 -0.908198325748E+02 -0.10850E-02 -0.12834E-04 677 0.690E-02 0.282E-02
DAV: 17 -0.908206892182E+02 -0.85664E-03 -0.15012E-04 714 0.743E-02 0.108E-02
DAV: 18 -0.908212627912E+02 -0.57357E-03 -0.70671E-05 658 0.347E-02 0.115E-02
DAV: 19 -0.908213611126E+02 -0.98321E-04 -0.44877E-06 512 0.121E-02 0.887E-03
DAV: 20 -0.908214487854E+02 -0.87673E-04 -0.24879E-05 459 0.279E-02 0.519E-03
DAV: 21 -0.908214502839E+02 -0.14985E-05 -0.34915E-06 544 0.101E-02
1 F= -.90821450E+02 E0= -.90827371E+02 d E =0.177625E-01