iterations/neb0_image09_iter15_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 0.372240748935E+03 0.37224E+03 -0.14269E+04 624 0.799E+02
DAV: 2 0.227946302309E+01 -0.36996E+03 -0.35754E+03 874 0.195E+02
DAV: 3 -0.964588855435E+02 -0.98738E+02 -0.98410E+02 656 0.116E+02
DAV: 4 -0.101025115884E+03 -0.45662E+01 -0.45555E+01 696 0.289E+01
DAV: 5 -0.101116502423E+03 -0.91387E-01 -0.91336E-01 736 0.370E+00 0.225E+01
DAV: 6 -0.925367207377E+02 0.85798E+01 -0.30828E+01 712 0.300E+01 0.118E+01
DAV: 7 -0.916973224369E+02 0.83940E+00 -0.17077E+00 720 0.621E+00 0.477E+00
DAV: 8 -0.913275295734E+02 0.36979E+00 -0.55535E-01 712 0.402E+00 0.164E+00
DAV: 9 -0.912458912931E+02 0.81638E-01 -0.12870E-01 712 0.156E+00 0.424E-01
DAV: 10 -0.912371493312E+02 0.87420E-02 -0.36925E-02 760 0.976E-01 0.284E-01
DAV: 11 -0.912418178806E+02 -0.46685E-02 -0.12017E-02 613 0.580E-01 0.162E-01
DAV: 12 -0.912439720007E+02 -0.21541E-02 -0.20713E-03 640 0.252E-01 0.920E-02
DAV: 13 -0.912482965559E+02 -0.43246E-02 -0.26334E-03 635 0.263E-01 0.637E-02
DAV: 14 -0.912499465970E+02 -0.16500E-02 -0.46250E-04 824 0.173E-01 0.318E-02
DAV: 15 -0.912528103811E+02 -0.28638E-02 -0.61714E-04 634 0.129E-01 0.349E-02
DAV: 16 -0.912535846116E+02 -0.77423E-03 -0.86322E-05 752 0.764E-02 0.179E-02
DAV: 17 -0.912546072265E+02 -0.10226E-02 -0.22912E-04 695 0.849E-02 0.171E-02
DAV: 18 -0.912548954116E+02 -0.28819E-03 -0.29527E-05 573 0.360E-02 0.116E-02
DAV: 19 -0.912550251105E+02 -0.12970E-03 -0.34659E-05 605 0.307E-02 0.250E-03
DAV: 20 -0.912550596493E+02 -0.34539E-04 -0.37755E-06 482 0.950E-03 0.220E-03
DAV: 21 -0.912550782920E+02 -0.18643E-04 -0.21715E-06 423 0.565E-03 0.250E-03
DAV: 22 -0.912550830463E+02 -0.47543E-05 -0.86324E-07 466 0.591E-03
1 F= -.91255083E+02 E0= -.91259785E+02 d E =0.141061E-01