iterations/neb0_image05_iter55_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 0.373156964350E+03 0.37316E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.413519435390E+01 -0.36902E+03 -0.35700E+03 874 0.195E+02
DAV: 3 -0.937323101524E+02 -0.97868E+02 -0.97520E+02 640 0.116E+02
DAV: 4 -0.984551973703E+02 -0.47229E+01 -0.47090E+01 728 0.299E+01
DAV: 5 -0.985564191032E+02 -0.10122E+00 -0.10118E+00 712 0.390E+00 0.219E+01
DAV: 6 -0.903194831674E+02 0.82369E+01 -0.28779E+01 720 0.290E+01 0.113E+01
DAV: 7 -0.894749351396E+02 0.84455E+00 -0.17573E+00 720 0.653E+00 0.466E+00
DAV: 8 -0.890971668739E+02 0.37777E+00 -0.60057E-01 696 0.431E+00 0.157E+00
DAV: 9 -0.890117009741E+02 0.85466E-01 -0.12663E-01 712 0.158E+00 0.434E-01
DAV: 10 -0.890009692544E+02 0.10732E-01 -0.39900E-02 733 0.106E+00 0.310E-01
DAV: 11 -0.890033278245E+02 -0.23586E-02 -0.88950E-03 624 0.534E-01 0.122E-01
DAV: 12 -0.890057559218E+02 -0.24281E-02 -0.24707E-03 674 0.260E-01 0.996E-02
DAV: 13 -0.890108616151E+02 -0.51057E-02 -0.13756E-03 647 0.240E-01 0.684E-02
DAV: 14 -0.890136934074E+02 -0.28318E-02 -0.87531E-04 682 0.144E-01 0.346E-02
DAV: 15 -0.890165730788E+02 -0.28797E-02 -0.49995E-04 685 0.124E-01 0.268E-02
DAV: 16 -0.890175609396E+02 -0.98786E-03 -0.82068E-05 765 0.603E-02 0.132E-02
DAV: 17 -0.890184886031E+02 -0.92766E-03 -0.14732E-04 647 0.615E-02 0.144E-02
DAV: 18 -0.890187433747E+02 -0.25477E-03 -0.42462E-05 717 0.502E-02 0.795E-03
DAV: 19 -0.890188336546E+02 -0.90280E-04 -0.14606E-05 464 0.237E-02 0.525E-03
DAV: 20 -0.890189426138E+02 -0.10896E-03 -0.23946E-05 491 0.262E-02 0.569E-03
DAV: 21 -0.890189709525E+02 -0.28339E-04 -0.38678E-06 504 0.153E-02 0.294E-03
DAV: 22 -0.890189812693E+02 -0.10317E-04 -0.56936E-06 445 0.133E-02 0.239E-03
DAV: 23 -0.890189848603E+02 -0.35911E-05 -0.86935E-07 488 0.642E-03
1 F= -.89018985E+02 E0= -.89022858E+02 d E =0.116188E-01