iterations/neb0_image02_iter161_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 0.367142448572E+03 0.36714E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.259257286539E+01 -0.36455E+03 -0.35231E+03 853 0.195E+02
DAV: 3 -0.957257002156E+02 -0.98318E+02 -0.97975E+02 664 0.116E+02
DAV: 4 -0.100226498713E+03 -0.45008E+01 -0.44901E+01 728 0.285E+01
DAV: 5 -0.100314981068E+03 -0.88482E-01 -0.88453E-01 744 0.358E+00 0.223E+01
DAV: 6 -0.916813166117E+02 0.86337E+01 -0.30939E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908585534520E+02 0.82276E+00 -0.18332E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904766581425E+02 0.38190E+00 -0.56348E-01 704 0.433E+00 0.169E+00
DAV: 9 -0.903907941543E+02 0.85864E-01 -0.13599E-01 712 0.166E+00 0.432E-01
DAV: 10 -0.903852441973E+02 0.55500E-02 -0.49365E-02 712 0.129E+00 0.331E-01
DAV: 11 -0.903885478312E+02 -0.33036E-02 -0.69818E-03 616 0.545E-01 0.137E-01
DAV: 12 -0.903917949485E+02 -0.32471E-02 -0.76926E-03 640 0.458E-01 0.137E-01
DAV: 13 -0.903945264429E+02 -0.27315E-02 -0.20206E-03 880 0.358E-01 0.834E-02
DAV: 14 -0.903975110026E+02 -0.29846E-02 -0.12795E-03 634 0.163E-01 0.663E-02
DAV: 15 -0.903996590302E+02 -0.21480E-02 -0.40715E-04 669 0.111E-01 0.479E-02
DAV: 16 -0.904010839520E+02 -0.14249E-02 -0.79312E-04 672 0.159E-01 0.351E-02
DAV: 17 -0.904018744553E+02 -0.79050E-03 -0.15029E-04 760 0.823E-02 0.203E-02
DAV: 18 -0.904021304981E+02 -0.25604E-03 -0.77026E-05 680 0.426E-02 0.710E-03
DAV: 19 -0.904022791783E+02 -0.14868E-03 -0.17329E-05 469 0.214E-02 0.397E-03
DAV: 20 -0.904023209194E+02 -0.41741E-04 -0.45873E-06 488 0.997E-03 0.311E-03
DAV: 21 -0.904023667659E+02 -0.45846E-04 -0.78698E-06 412 0.136E-02 0.267E-03
DAV: 22 -0.904023720260E+02 -0.52601E-05 -0.16819E-06 504 0.863E-03
1 F= -.90402372E+02 E0= -.90409453E+02 d E =0.212437E-01