iterations/neb0_image02_iter222_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 0.366347011412E+03 0.36635E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.368461293761E+00 -0.36598E+03 -0.35558E+03 877 0.195E+02
DAV: 3 -0.956798021744E+02 -0.96048E+02 -0.95718E+02 632 0.115E+02
DAV: 4 -0.100234978834E+03 -0.45552E+01 -0.45445E+01 712 0.294E+01
DAV: 5 -0.100325267228E+03 -0.90288E-01 -0.90255E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.916719015913E+02 0.86534E+01 -0.30930E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908537296459E+02 0.81817E+00 -0.18286E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904729756313E+02 0.38075E+00 -0.55474E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903874580318E+02 0.85518E-01 -0.13573E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903825836305E+02 0.48744E-02 -0.48592E-02 704 0.125E+00 0.329E-01
DAV: 11 -0.903863578796E+02 -0.37742E-02 -0.79549E-03 624 0.613E-01 0.116E-01
DAV: 12 -0.903892006000E+02 -0.28427E-02 -0.61301E-03 640 0.387E-01 0.130E-01
DAV: 13 -0.903919731367E+02 -0.27725E-02 -0.18006E-03 856 0.326E-01 0.827E-02
DAV: 14 -0.903951005078E+02 -0.31274E-02 -0.12525E-03 629 0.162E-01 0.678E-02
DAV: 15 -0.903969707073E+02 -0.18702E-02 -0.33309E-04 696 0.108E-01 0.474E-02
DAV: 16 -0.903984051653E+02 -0.14345E-02 -0.88910E-04 672 0.170E-01 0.388E-02
DAV: 17 -0.903990254431E+02 -0.62028E-03 -0.15608E-04 824 0.861E-02 0.215E-02
DAV: 18 -0.903992607382E+02 -0.23530E-03 -0.58173E-05 680 0.380E-02 0.735E-03
DAV: 19 -0.903994708674E+02 -0.21013E-03 -0.30613E-05 566 0.252E-02 0.485E-03
DAV: 20 -0.903995068738E+02 -0.36006E-04 -0.26917E-06 504 0.108E-02 0.419E-03
DAV: 21 -0.903995634069E+02 -0.56533E-04 -0.11414E-05 409 0.168E-02 0.307E-03
DAV: 22 -0.903995676644E+02 -0.42575E-05 -0.25108E-06 504 0.942E-03
1 F= -.90399568E+02 E0= -.90406622E+02 d E =0.211624E-01