iterations/neb0_image01_iter174_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 0.365493391459E+03 0.36549E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.315191116294E+01 -0.36234E+03 -0.34941E+03 842 0.196E+02
DAV: 3 -0.955850405387E+02 -0.98737E+02 -0.98388E+02 669 0.116E+02
DAV: 4 -0.100210849296E+03 -0.46258E+01 -0.46148E+01 688 0.287E+01
DAV: 5 -0.100303863481E+03 -0.93014E-01 -0.92966E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916776015144E+02 0.86263E+01 -0.31024E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908793996797E+02 0.79820E+00 -0.18287E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905061252318E+02 0.37327E+00 -0.54683E-01 704 0.427E+00 0.167E+00
DAV: 9 -0.904239929729E+02 0.82132E-01 -0.12955E-01 720 0.171E+00 0.425E-01
DAV: 10 -0.904194785916E+02 0.45144E-02 -0.47234E-02 720 0.124E+00 0.327E-01
DAV: 11 -0.904237771748E+02 -0.42986E-02 -0.90599E-03 608 0.665E-01 0.115E-01
DAV: 12 -0.904267103331E+02 -0.29332E-02 -0.60747E-03 621 0.410E-01 0.127E-01
DAV: 13 -0.904293952263E+02 -0.26849E-02 -0.14437E-03 853 0.290E-01 0.794E-02
DAV: 14 -0.904328480820E+02 -0.34529E-02 -0.17630E-03 631 0.221E-01 0.766E-02
DAV: 15 -0.904341724941E+02 -0.13244E-02 -0.29891E-04 824 0.134E-01 0.524E-02
DAV: 16 -0.904355410146E+02 -0.13685E-02 -0.10261E-03 661 0.201E-01 0.391E-02
DAV: 17 -0.904363144387E+02 -0.77342E-03 -0.16970E-04 725 0.888E-02 0.322E-02
DAV: 18 -0.904364810884E+02 -0.16665E-03 -0.31414E-05 712 0.298E-02 0.249E-02
DAV: 19 -0.904368083704E+02 -0.32728E-03 -0.83463E-05 638 0.533E-02 0.112E-02
DAV: 20 -0.904368799822E+02 -0.71612E-04 -0.26039E-05 552 0.337E-02 0.561E-03
DAV: 21 -0.904369152378E+02 -0.35256E-04 -0.97813E-06 445 0.189E-02 0.677E-03
DAV: 22 -0.904369549570E+02 -0.39719E-04 -0.60508E-06 436 0.123E-02 0.510E-03
DAV: 23 -0.904369646510E+02 -0.96939E-05 -0.38110E-06 472 0.131E-02
1 F= -.90436965E+02 E0= -.90443957E+02 d E =0.209769E-01