iterations/neb0_image06_iter208_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 0.370315469357E+03 0.37032E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.437439467908E+01 -0.36594E+03 -0.35391E+03 858 0.193E+02
DAV: 3 -0.955612711728E+02 -0.99936E+02 -0.99596E+02 664 0.116E+02
DAV: 4 -0.100340194372E+03 -0.47789E+01 -0.47641E+01 728 0.289E+01
DAV: 5 -0.100438916159E+03 -0.98722E-01 -0.98664E-01 736 0.370E+00 0.225E+01
DAV: 6 -0.918906598485E+02 0.85483E+01 -0.30596E+01 693 0.303E+01 0.118E+01
DAV: 7 -0.910783844880E+02 0.81228E+00 -0.17546E+00 704 0.628E+00 0.480E+00
DAV: 8 -0.907048200670E+02 0.37356E+00 -0.53757E-01 704 0.409E+00 0.167E+00
DAV: 9 -0.906140243745E+02 0.90796E-01 -0.12964E-01 704 0.158E+00 0.421E-01
DAV: 10 -0.906037012040E+02 0.10323E-01 -0.38366E-02 736 0.970E-01 0.287E-01
DAV: 11 -0.906079472758E+02 -0.42461E-02 -0.97189E-03 599 0.507E-01 0.146E-01
DAV: 12 -0.906106729252E+02 -0.27256E-02 -0.23713E-03 634 0.261E-01 0.838E-02
DAV: 13 -0.906146509704E+02 -0.39780E-02 -0.14195E-03 628 0.171E-01 0.620E-02
DAV: 14 -0.906180622956E+02 -0.34113E-02 -0.94318E-04 736 0.214E-01 0.374E-02
DAV: 15 -0.906198226938E+02 -0.17604E-02 -0.27639E-04 709 0.931E-02 0.389E-02
DAV: 16 -0.906211708992E+02 -0.13482E-02 -0.35396E-04 709 0.115E-01 0.180E-02
DAV: 17 -0.906218300121E+02 -0.65911E-03 -0.10368E-04 701 0.559E-02 0.139E-02
DAV: 18 -0.906220888959E+02 -0.25888E-03 -0.25027E-05 525 0.218E-02 0.819E-03
DAV: 19 -0.906222165883E+02 -0.12769E-03 -0.21234E-05 492 0.234E-02 0.219E-03
DAV: 20 -0.906222417151E+02 -0.25127E-04 -0.38962E-06 488 0.101E-02 0.189E-03
DAV: 21 -0.906222643440E+02 -0.22629E-04 -0.33531E-06 392 0.624E-03 0.181E-03
DAV: 22 -0.906222657088E+02 -0.13648E-05 -0.43577E-07 528 0.338E-03
1 F= -.90622266E+02 E0= -.90627300E+02 d E =0.151016E-01