iterations/neb0_image04_iter105_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 0.370097203766E+03 0.37010E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.388941528134E+01 -0.36621E+03 -0.35423E+03 858 0.195E+02
DAV: 3 -0.953104998694E+02 -0.99200E+02 -0.98882E+02 669 0.116E+02
DAV: 4 -0.998230448260E+02 -0.45125E+01 -0.45018E+01 704 0.285E+01
DAV: 5 -0.999114436680E+02 -0.88399E-01 -0.88359E-01 720 0.360E+00 0.221E+01
DAV: 6 -0.914178301587E+02 0.84936E+01 -0.29923E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905636764875E+02 0.85415E+00 -0.17239E+00 712 0.626E+00 0.479E+00
DAV: 8 -0.901652410755E+02 0.39844E+00 -0.55908E-01 728 0.422E+00 0.163E+00
DAV: 9 -0.900708625116E+02 0.94379E-01 -0.13168E-01 720 0.177E+00 0.439E-01
DAV: 10 -0.900613034405E+02 0.95591E-02 -0.60446E-02 709 0.143E+00 0.358E-01
DAV: 11 -0.900653492139E+02 -0.40458E-02 -0.15040E-02 624 0.735E-01 0.144E-01
DAV: 12 -0.900672424874E+02 -0.18933E-02 -0.55199E-03 628 0.336E-01 0.145E-01
DAV: 13 -0.900703600682E+02 -0.31176E-02 -0.22146E-03 845 0.374E-01 0.787E-02
DAV: 14 -0.900744110213E+02 -0.40510E-02 -0.15709E-03 655 0.204E-01 0.690E-02
DAV: 15 -0.900766389406E+02 -0.22279E-02 -0.30148E-04 749 0.110E-01 0.452E-02
DAV: 16 -0.900784429778E+02 -0.18040E-02 -0.78543E-04 671 0.159E-01 0.346E-02
DAV: 17 -0.900793720182E+02 -0.92904E-03 -0.20974E-04 853 0.101E-01 0.147E-02
DAV: 18 -0.900797642070E+02 -0.39219E-03 -0.66263E-05 658 0.364E-02 0.931E-03
DAV: 19 -0.900799246029E+02 -0.16040E-03 -0.19278E-05 501 0.199E-02 0.405E-03
DAV: 20 -0.900799951563E+02 -0.70553E-04 -0.10373E-05 463 0.158E-02 0.296E-03
DAV: 21 -0.900800072454E+02 -0.12089E-04 -0.29599E-06 512 0.786E-03 0.287E-03
DAV: 22 -0.900800134573E+02 -0.62120E-05 -0.11101E-06 417 0.664E-03
1 F= -.90080013E+02 E0= -.90084113E+02 d E =0.122994E-01