iterations/neb0_image09_iter243_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 0.374226319880E+03 0.37423E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.331812229333E+01 -0.37091E+03 -0.35829E+03 869 0.196E+02
DAV: 3 -0.967596958110E+02 -0.10008E+03 -0.99749E+02 661 0.117E+02
DAV: 4 -0.101286771429E+03 -0.45271E+01 -0.45165E+01 720 0.287E+01
DAV: 5 -0.101375349508E+03 -0.88578E-01 -0.88539E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926851368932E+02 0.86902E+01 -0.30983E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.918115537243E+02 0.87358E+00 -0.17188E+00 720 0.612E+00 0.480E+00
DAV: 8 -0.914349663391E+02 0.37659E+00 -0.54417E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913542529123E+02 0.80713E-01 -0.13252E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913461983514E+02 0.80546E-02 -0.44131E-02 768 0.109E+00 0.300E-01
DAV: 11 -0.913505187427E+02 -0.43204E-02 -0.11808E-02 608 0.567E-01 0.131E-01
DAV: 12 -0.913537559562E+02 -0.32372E-02 -0.28125E-03 623 0.243E-01 0.107E-01
DAV: 13 -0.913572435376E+02 -0.34876E-02 -0.12636E-03 669 0.192E-01 0.433E-02
DAV: 14 -0.913606089518E+02 -0.33654E-02 -0.73145E-04 656 0.151E-01 0.365E-02
DAV: 15 -0.913617895305E+02 -0.11806E-02 -0.12867E-04 768 0.807E-02 0.327E-02
DAV: 16 -0.913632810250E+02 -0.14915E-02 -0.33364E-04 642 0.909E-02 0.171E-02
DAV: 17 -0.913636982639E+02 -0.41724E-03 -0.61947E-05 680 0.552E-02 0.122E-02
DAV: 18 -0.913639402895E+02 -0.24203E-03 -0.39369E-05 565 0.273E-02 0.868E-03
DAV: 19 -0.913640026893E+02 -0.62400E-04 -0.81701E-06 488 0.154E-02 0.402E-03
DAV: 20 -0.913640324936E+02 -0.29804E-04 -0.57135E-06 432 0.153E-02 0.153E-03
DAV: 21 -0.913640486034E+02 -0.16110E-04 -0.29263E-06 445 0.793E-03 0.233E-03
DAV: 22 -0.913640523154E+02 -0.37120E-05 -0.61268E-07 480 0.411E-03
1 F= -.91364052E+02 E0= -.91368875E+02 d E =0.144670E-01