iterations/neb0_image03_iter64_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 0.367921631391E+03 0.36792E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.390800250045E+01 -0.36401E+03 -0.35075E+03 845 0.195E+02
DAV: 3 -0.954798847218E+02 -0.99388E+02 -0.99060E+02 664 0.116E+02
DAV: 4 -0.100100251195E+03 -0.46204E+01 -0.46099E+01 712 0.290E+01
DAV: 5 -0.100189291246E+03 -0.89040E-01 -0.89002E-01 736 0.365E+00 0.223E+01
DAV: 6 -0.915890760513E+02 0.86002E+01 -0.30711E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907402656255E+02 0.84881E+00 -0.18465E+00 704 0.641E+00 0.483E+00
DAV: 8 -0.903362084839E+02 0.40406E+00 -0.56939E-01 696 0.433E+00 0.166E+00
DAV: 9 -0.902410583368E+02 0.95150E-01 -0.14139E-01 696 0.173E+00 0.440E-01
DAV: 10 -0.902331103596E+02 0.79480E-02 -0.46844E-02 712 0.119E+00 0.334E-01
DAV: 11 -0.902364580749E+02 -0.33477E-02 -0.67927E-03 616 0.536E-01 0.121E-01
DAV: 12 -0.902393567198E+02 -0.28986E-02 -0.55196E-03 620 0.338E-01 0.125E-01
DAV: 13 -0.902435084580E+02 -0.41517E-02 -0.21512E-03 840 0.392E-01 0.914E-02
DAV: 14 -0.902462914874E+02 -0.27830E-02 -0.10044E-03 650 0.154E-01 0.648E-02
DAV: 15 -0.902486709901E+02 -0.23795E-02 -0.65140E-04 680 0.149E-01 0.285E-02
DAV: 16 -0.902505178799E+02 -0.18469E-02 -0.31047E-04 666 0.940E-02 0.248E-02
DAV: 17 -0.902512851848E+02 -0.76730E-03 -0.74966E-05 688 0.446E-02 0.197E-02
DAV: 18 -0.902516747110E+02 -0.38953E-03 -0.80699E-05 648 0.495E-02 0.745E-03
DAV: 19 -0.902517687764E+02 -0.94065E-04 -0.11841E-05 512 0.238E-02 0.471E-03
DAV: 20 -0.902518562793E+02 -0.87503E-04 -0.12481E-05 423 0.192E-02 0.434E-03
DAV: 21 -0.902518993305E+02 -0.43051E-04 -0.54170E-06 464 0.109E-02 0.258E-03
DAV: 22 -0.902519114035E+02 -0.12073E-04 -0.36476E-06 480 0.116E-02 0.181E-03
DAV: 23 -0.902519158202E+02 -0.44168E-05 -0.10068E-06 434 0.541E-03
1 F= -.90251916E+02 E0= -.90260866E+02 d E =0.268502E-01