iterations/neb0_image04_iter30_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 0.368337622107E+03 0.36834E+03 -0.14300E+04 632 0.799E+02
DAV: 2 0.489771965684E+01 -0.36344E+03 -0.35166E+03 861 0.194E+02
DAV: 3 -0.946471483105E+02 -0.99545E+02 -0.99174E+02 680 0.116E+02
DAV: 4 -0.991406634186E+02 -0.44935E+01 -0.44821E+01 728 0.282E+01
DAV: 5 -0.992283214018E+02 -0.87658E-01 -0.87623E-01 728 0.356E+00 0.220E+01
DAV: 6 -0.907284401312E+02 0.84999E+01 -0.30037E+01 669 0.296E+01 0.115E+01
DAV: 7 -0.898676792292E+02 0.86076E+00 -0.16754E+00 728 0.638E+00 0.480E+00
DAV: 8 -0.894627081510E+02 0.40497E+00 -0.62721E-01 704 0.450E+00 0.162E+00
DAV: 9 -0.893728259895E+02 0.89882E-01 -0.13026E-01 728 0.165E+00 0.449E-01
DAV: 10 -0.893630000868E+02 0.98259E-02 -0.42988E-02 725 0.108E+00 0.327E-01
DAV: 11 -0.893671898723E+02 -0.41898E-02 -0.12490E-02 599 0.660E-01 0.150E-01
DAV: 12 -0.893685346672E+02 -0.13448E-02 -0.29861E-03 661 0.282E-01 0.126E-01
DAV: 13 -0.893735463449E+02 -0.50117E-02 -0.48428E-03 748 0.462E-01 0.985E-02
DAV: 14 -0.893757937397E+02 -0.22474E-02 -0.93371E-04 738 0.189E-01 0.676E-02
DAV: 15 -0.893782488332E+02 -0.24551E-02 -0.13877E-03 655 0.214E-01 0.388E-02
DAV: 16 -0.893795779832E+02 -0.13292E-02 -0.16630E-04 738 0.830E-02 0.265E-02
DAV: 17 -0.893807152874E+02 -0.11373E-02 -0.18441E-04 671 0.718E-02 0.847E-03
DAV: 18 -0.893812318154E+02 -0.51653E-03 -0.58340E-05 685 0.338E-02 0.835E-03
DAV: 19 -0.893813709730E+02 -0.13916E-03 -0.76972E-06 504 0.188E-02 0.474E-03
DAV: 20 -0.893814898822E+02 -0.11891E-03 -0.26804E-05 484 0.243E-02 0.521E-03
DAV: 21 -0.893815002261E+02 -0.10344E-04 -0.27385E-06 517 0.132E-02 0.336E-03
DAV: 22 -0.893815116526E+02 -0.11426E-04 -0.37144E-06 410 0.106E-02 0.226E-03
DAV: 23 -0.893815182649E+02 -0.66123E-05 -0.11771E-06 477 0.643E-03
1 F= -.89381518E+02 E0= -.89386353E+02 d E =0.145037E-01