iterations/neb0_image05_iter65_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 0.373304441033E+03 0.37330E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.405779218284E+01 -0.36925E+03 -0.35719E+03 874 0.195E+02
DAV: 3 -0.937005051500E+02 -0.97758E+02 -0.97401E+02 632 0.116E+02
DAV: 4 -0.985102792716E+02 -0.48098E+01 -0.47962E+01 720 0.303E+01
DAV: 5 -0.986149177945E+02 -0.10464E+00 -0.10460E+00 728 0.397E+00 0.219E+01
DAV: 6 -0.903843680613E+02 0.82305E+01 -0.28694E+01 672 0.289E+01 0.112E+01
DAV: 7 -0.895405801274E+02 0.84379E+00 -0.17593E+00 728 0.655E+00 0.467E+00
DAV: 8 -0.891611440317E+02 0.37944E+00 -0.60092E-01 696 0.432E+00 0.154E+00
DAV: 9 -0.890775272693E+02 0.83617E-01 -0.12228E-01 712 0.157E+00 0.430E-01
DAV: 10 -0.890665872605E+02 0.10940E-01 -0.46783E-02 733 0.115E+00 0.327E-01
DAV: 11 -0.890690022695E+02 -0.24150E-02 -0.10156E-02 632 0.561E-01 0.120E-01
DAV: 12 -0.890712724980E+02 -0.22702E-02 -0.28183E-03 666 0.270E-01 0.109E-01
DAV: 13 -0.890765761013E+02 -0.53036E-02 -0.16819E-03 785 0.276E-01 0.640E-02
DAV: 14 -0.890791518970E+02 -0.25758E-02 -0.66668E-04 674 0.122E-01 0.392E-02
DAV: 15 -0.890822141969E+02 -0.30623E-02 -0.62456E-04 709 0.135E-01 0.304E-02
DAV: 16 -0.890830956333E+02 -0.88144E-03 -0.93156E-05 776 0.690E-02 0.136E-02
DAV: 17 -0.890841271330E+02 -0.10315E-02 -0.18362E-04 655 0.673E-02 0.159E-02
DAV: 18 -0.890843610597E+02 -0.23393E-03 -0.34898E-05 605 0.457E-02 0.777E-03
DAV: 19 -0.890844838801E+02 -0.12282E-03 -0.22393E-05 541 0.270E-02 0.489E-03
DAV: 20 -0.890845831819E+02 -0.99302E-04 -0.15775E-05 465 0.185E-02 0.481E-03
DAV: 21 -0.890846072930E+02 -0.24111E-04 -0.30299E-06 488 0.101E-02 0.350E-03
DAV: 22 -0.890846163422E+02 -0.90492E-05 -0.52728E-06 437 0.150E-02
1 F= -.89084616E+02 E0= -.89088488E+02 d E =0.116155E-01