iterations/neb0_image04_iter51_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 0.371072267159E+03 0.37107E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.461331318200E+01 -0.36646E+03 -0.35381E+03 861 0.195E+02
DAV: 3 -0.951238406027E+02 -0.99737E+02 -0.99400E+02 677 0.116E+02
DAV: 4 -0.996271925607E+02 -0.45034E+01 -0.44917E+01 712 0.281E+01
DAV: 5 -0.997157036383E+02 -0.88511E-01 -0.88468E-01 744 0.354E+00 0.222E+01
DAV: 6 -0.912124179482E+02 0.85033E+01 -0.30148E+01 690 0.296E+01 0.116E+01
DAV: 7 -0.903710962813E+02 0.84132E+00 -0.17684E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.899720715350E+02 0.39902E+00 -0.56824E-01 704 0.430E+00 0.166E+00
DAV: 9 -0.898771183585E+02 0.94953E-01 -0.13559E-01 720 0.174E+00 0.443E-01
DAV: 10 -0.898671363970E+02 0.99820E-02 -0.50430E-02 720 0.126E+00 0.338E-01
DAV: 11 -0.898709265327E+02 -0.37901E-02 -0.13002E-02 629 0.632E-01 0.143E-01
DAV: 12 -0.898725347773E+02 -0.16082E-02 -0.34060E-03 648 0.274E-01 0.122E-01
DAV: 13 -0.898773007133E+02 -0.47659E-02 -0.33162E-03 786 0.435E-01 0.758E-02
DAV: 14 -0.898800627236E+02 -0.27620E-02 -0.10135E-03 677 0.162E-01 0.615E-02
DAV: 15 -0.898820667240E+02 -0.20040E-02 -0.53832E-04 677 0.146E-01 0.250E-02
DAV: 16 -0.898839107224E+02 -0.18440E-02 -0.32099E-04 669 0.903E-02 0.303E-02
DAV: 17 -0.898846791377E+02 -0.76842E-03 -0.55387E-05 621 0.405E-02 0.230E-02
DAV: 18 -0.898851360622E+02 -0.45692E-03 -0.17307E-04 647 0.779E-02 0.127E-02
DAV: 19 -0.898851633805E+02 -0.27318E-04 -0.13229E-05 520 0.291E-02 0.834E-03
DAV: 20 -0.898852878328E+02 -0.12445E-03 -0.53826E-05 617 0.436E-02 0.995E-03
DAV: 21 -0.898853093329E+02 -0.21500E-04 -0.58958E-06 480 0.221E-02 0.568E-03
DAV: 22 -0.898853278139E+02 -0.18481E-04 -0.12351E-05 415 0.198E-02 0.337E-03
DAV: 23 -0.898853416240E+02 -0.13810E-04 -0.28981E-06 466 0.925E-03 0.374E-03
DAV: 24 -0.898853461022E+02 -0.44782E-05 -0.10568E-06 464 0.531E-03
1 F= -.89885346E+02 E0= -.89890968E+02 d E =0.168646E-01