iterations/neb0_image08_iter7_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 0.367678496325E+03 0.36768E+03 -0.14249E+04 624 0.799E+02
DAV: 2 0.219815641587E+01 -0.36548E+03 -0.35320E+03 877 0.195E+02
DAV: 3 -0.960012398215E+02 -0.98199E+02 -0.97849E+02 680 0.115E+02
DAV: 4 -0.100372776096E+03 -0.43715E+01 -0.43577E+01 712 0.276E+01
DAV: 5 -0.100462077316E+03 -0.89301E-01 -0.89253E-01 744 0.353E+00 0.221E+01
DAV: 6 -0.919028085603E+02 0.85593E+01 -0.30761E+01 728 0.301E+01 0.116E+01
DAV: 7 -0.910532433698E+02 0.84957E+00 -0.17051E+00 704 0.646E+00 0.478E+00
DAV: 8 -0.906753647513E+02 0.37788E+00 -0.62179E-01 704 0.423E+00 0.166E+00
DAV: 9 -0.905916557991E+02 0.83709E-01 -0.13745E-01 709 0.176E+00 0.470E-01
DAV: 10 -0.905825714260E+02 0.90844E-02 -0.22310E-02 768 0.738E-01 0.265E-01
DAV: 11 -0.905855255621E+02 -0.29541E-02 -0.12374E-02 669 0.631E-01 0.174E-01
DAV: 12 -0.905874615990E+02 -0.19360E-02 -0.44972E-03 768 0.472E-01 0.106E-01
DAV: 13 -0.905917683981E+02 -0.43068E-02 -0.41459E-03 646 0.337E-01 0.111E-01
DAV: 14 -0.905937654332E+02 -0.19970E-02 -0.15212E-03 792 0.246E-01 0.381E-02
DAV: 15 -0.905966757502E+02 -0.29103E-02 -0.95588E-04 677 0.178E-01 0.527E-02
DAV: 16 -0.905981540453E+02 -0.14783E-02 -0.20203E-04 733 0.102E-01 0.241E-02
DAV: 17 -0.905989802343E+02 -0.82619E-03 -0.25216E-04 671 0.902E-02 0.175E-02
DAV: 18 -0.905995051997E+02 -0.52497E-03 -0.44618E-05 594 0.414E-02 0.113E-02
DAV: 19 -0.905997148993E+02 -0.20970E-03 -0.35223E-05 605 0.311E-02 0.349E-03
DAV: 20 -0.905997975937E+02 -0.82694E-04 -0.70183E-06 456 0.148E-02 0.149E-03
DAV: 21 -0.905998279393E+02 -0.30346E-04 -0.41071E-06 465 0.734E-03 0.187E-03
DAV: 22 -0.905998363158E+02 -0.83765E-05 -0.13159E-06 496 0.818E-03
1 F= -.90599836E+02 E0= -.90603720E+02 d E =0.116509E-01