iterations/neb0_image09_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 0.374770516908E+03 0.37477E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.257584516020E+01 -0.37219E+03 -0.35982E+03 877 0.196E+02
DAV: 3 -0.966771040532E+02 -0.99253E+02 -0.98916E+02 656 0.117E+02
DAV: 4 -0.101215678876E+03 -0.45386E+01 -0.45294E+01 696 0.289E+01
DAV: 5 -0.101305588743E+03 -0.89910E-01 -0.89871E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926589234109E+02 0.86467E+01 -0.30859E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917971860118E+02 0.86174E+00 -0.17180E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914207769431E+02 0.37641E+00 -0.54479E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913378705028E+02 0.82906E-01 -0.13024E-01 704 0.154E+00 0.422E-01
DAV: 10 -0.913288570247E+02 0.90135E-02 -0.45686E-02 752 0.111E+00 0.304E-01
DAV: 11 -0.913335878164E+02 -0.47308E-02 -0.13781E-02 605 0.606E-01 0.155E-01
DAV: 12 -0.913364597452E+02 -0.28719E-02 -0.30285E-03 639 0.245E-01 0.112E-01
DAV: 13 -0.913402529391E+02 -0.37932E-02 -0.16454E-03 704 0.221E-01 0.448E-02
DAV: 14 -0.913437627427E+02 -0.35098E-02 -0.64070E-04 669 0.146E-01 0.318E-02
DAV: 15 -0.913450444429E+02 -0.12817E-02 -0.13796E-04 680 0.740E-02 0.342E-02
DAV: 16 -0.913463390279E+02 -0.12946E-02 -0.34541E-04 644 0.102E-01 0.201E-02
DAV: 17 -0.913466790123E+02 -0.33998E-03 -0.43071E-05 685 0.486E-02 0.144E-02
DAV: 18 -0.913469473569E+02 -0.26834E-03 -0.73902E-05 637 0.467E-02 0.147E-02
DAV: 19 -0.913470364715E+02 -0.89115E-04 -0.17902E-05 544 0.260E-02 0.564E-03
DAV: 20 -0.913470745968E+02 -0.38125E-04 -0.72874E-06 448 0.140E-02 0.190E-03
DAV: 21 -0.913471035859E+02 -0.28989E-04 -0.50422E-06 420 0.110E-02 0.155E-03
DAV: 22 -0.913471074317E+02 -0.38458E-05 -0.10048E-06 496 0.493E-03
1 F= -.91347107E+02 E0= -.91351896E+02 d E =0.143670E-01