iterations/neb0_image06_iter21_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 0.363781819441E+03 0.36378E+03 -0.14249E+04 632 0.799E+02
DAV: 2 0.320788678070E+01 -0.36057E+03 -0.34769E+03 877 0.193E+02
DAV: 3 -0.941571677961E+02 -0.97365E+02 -0.96881E+02 664 0.114E+02
DAV: 4 -0.987082471044E+02 -0.45511E+01 -0.45361E+01 712 0.282E+01
DAV: 5 -0.988020438230E+02 -0.93797E-01 -0.93760E-01 728 0.362E+00 0.219E+01
DAV: 6 -0.900253871477E+02 0.87767E+01 -0.31954E+01 688 0.307E+01 0.113E+01
DAV: 7 -0.891939272713E+02 0.83146E+00 -0.16629E+00 720 0.696E+00 0.487E+00
DAV: 8 -0.887987247327E+02 0.39520E+00 -0.72325E-01 720 0.474E+00 0.167E+00
DAV: 9 -0.887127598083E+02 0.85965E-01 -0.13923E-01 728 0.189E+00 0.530E-01
DAV: 10 -0.887008503039E+02 0.11910E-01 -0.24821E-02 792 0.767E-01 0.286E-01
DAV: 11 -0.887019106046E+02 -0.10603E-02 -0.11338E-02 608 0.673E-01 0.162E-01
DAV: 12 -0.887042174010E+02 -0.23068E-02 -0.36500E-03 696 0.414E-01 0.107E-01
DAV: 13 -0.887084146614E+02 -0.41973E-02 -0.28989E-03 636 0.280E-01 0.101E-01
DAV: 14 -0.887112493427E+02 -0.28347E-02 -0.11180E-03 661 0.184E-01 0.413E-02
DAV: 15 -0.887142073186E+02 -0.29580E-02 -0.77730E-04 664 0.160E-01 0.422E-02
DAV: 16 -0.887156947203E+02 -0.14874E-02 -0.22389E-04 688 0.965E-02 0.280E-02
DAV: 17 -0.887166674689E+02 -0.97275E-03 -0.27432E-04 757 0.105E-01 0.223E-02
DAV: 18 -0.887170994798E+02 -0.43201E-03 -0.10140E-04 757 0.655E-02 0.166E-02
DAV: 19 -0.887172750667E+02 -0.17559E-03 -0.41795E-05 677 0.402E-02 0.730E-03
DAV: 20 -0.887173952165E+02 -0.12015E-03 -0.16829E-05 421 0.237E-02 0.400E-03
DAV: 21 -0.887174570750E+02 -0.61858E-04 -0.85246E-06 469 0.145E-02 0.301E-03
DAV: 22 -0.887174793935E+02 -0.22318E-04 -0.49487E-06 426 0.145E-02 0.204E-03
DAV: 23 -0.887174893049E+02 -0.99114E-05 -0.21638E-06 430 0.720E-03
1 F= -.88717489E+02 E0= -.88721373E+02 d E =0.116522E-01