iterations/neb0_image04_iter6_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 0.360597449334E+03 0.36060E+03 -0.14211E+04 624 0.799E+02
DAV: 2 0.594720508852E+01 -0.35465E+03 -0.34206E+03 850 0.193E+02
DAV: 3 -0.920825091305E+02 -0.98030E+02 -0.97526E+02 704 0.115E+02
DAV: 4 -0.966702800943E+02 -0.45878E+01 -0.45711E+01 704 0.271E+01
DAV: 5 -0.967703477227E+02 -0.10007E+00 -0.10002E+00 712 0.349E+00 0.214E+01
DAV: 6 -0.883626274943E+02 0.84077E+01 -0.31400E+01 709 0.302E+01 0.111E+01
DAV: 7 -0.875955124654E+02 0.76712E+00 -0.16009E+00 720 0.697E+00 0.481E+00
DAV: 8 -0.872245261141E+02 0.37099E+00 -0.70110E-01 728 0.459E+00 0.168E+00
DAV: 9 -0.871456575211E+02 0.78869E-01 -0.14491E-01 712 0.185E+00 0.503E-01
DAV: 10 -0.871378900908E+02 0.77674E-02 -0.27316E-02 728 0.896E-01 0.288E-01
DAV: 11 -0.871389591369E+02 -0.10690E-02 -0.86134E-03 640 0.540E-01 0.152E-01
DAV: 12 -0.871413986823E+02 -0.24395E-02 -0.24934E-03 687 0.307E-01 0.103E-01
DAV: 13 -0.871462363146E+02 -0.48376E-02 -0.26156E-03 652 0.313E-01 0.846E-02
DAV: 14 -0.871492943750E+02 -0.30581E-02 -0.10134E-03 704 0.187E-01 0.378E-02
DAV: 15 -0.871516274466E+02 -0.23331E-02 -0.68018E-04 682 0.142E-01 0.456E-02
DAV: 16 -0.871527620261E+02 -0.11346E-02 -0.29731E-04 885 0.130E-01 0.240E-02
DAV: 17 -0.871534395509E+02 -0.67752E-03 -0.15528E-04 741 0.738E-02 0.182E-02
DAV: 18 -0.871539445164E+02 -0.50497E-03 -0.72441E-05 666 0.458E-02 0.145E-02
DAV: 19 -0.871541183370E+02 -0.17382E-03 -0.51466E-05 696 0.438E-02 0.706E-03
DAV: 20 -0.871542195556E+02 -0.10122E-03 -0.10545E-05 426 0.228E-02 0.390E-03
DAV: 21 -0.871542787599E+02 -0.59204E-04 -0.10416E-05 466 0.139E-02 0.282E-03
DAV: 22 -0.871542936082E+02 -0.14848E-04 -0.30220E-06 480 0.931E-03 0.128E-03
DAV: 23 -0.871542981083E+02 -0.45001E-05 -0.12808E-06 447 0.595E-03
1 F= -.87154298E+02 E0= -.87158166E+02 d E =0.116026E-01