./iterations/neb0_image04_iter110_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 0.370527370157E+03 0.37053E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.396005367341E+01 -0.36657E+03 -0.35455E+03 858 0.195E+02
DAV: 3 -0.954674137760E+02 -0.99427E+02 -0.99110E+02 680 0.116E+02
DAV: 4 -0.998790974993E+02 -0.44117E+01 -0.44008E+01 704 0.281E+01
DAV: 5 -0.999640710450E+02 -0.84974E-01 -0.84935E-01 720 0.354E+00 0.222E+01
DAV: 6 -0.914314181789E+02 0.85327E+01 -0.29984E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.905712850810E+02 0.86013E+00 -0.17549E+00 720 0.628E+00 0.480E+00
DAV: 8 -0.901719108872E+02 0.39937E+00 -0.56013E-01 712 0.422E+00 0.165E+00
DAV: 9 -0.900767468934E+02 0.95164E-01 -0.13326E-01 720 0.180E+00 0.445E-01
DAV: 10 -0.900665730841E+02 0.10174E-01 -0.59303E-02 709 0.143E+00 0.357E-01
DAV: 11 -0.900705446824E+02 -0.39716E-02 -0.16068E-02 624 0.762E-01 0.151E-01
DAV: 12 -0.900718153071E+02 -0.12706E-02 -0.53079E-03 628 0.348E-01 0.147E-01
DAV: 13 -0.900750626260E+02 -0.32473E-02 -0.33618E-03 837 0.442E-01 0.799E-02
DAV: 14 -0.900791755159E+02 -0.41129E-02 -0.15079E-03 655 0.200E-01 0.716E-02
DAV: 15 -0.900811037815E+02 -0.19283E-02 -0.27105E-04 760 0.113E-01 0.405E-02
DAV: 16 -0.900830714115E+02 -0.19676E-02 -0.71076E-04 666 0.152E-01 0.332E-02
DAV: 17 -0.900840642890E+02 -0.99288E-03 -0.17045E-04 808 0.884E-02 0.157E-02
DAV: 18 -0.900845165507E+02 -0.45226E-03 -0.75428E-05 596 0.377E-02 0.954E-03
DAV: 19 -0.900846509775E+02 -0.13443E-03 -0.15831E-05 488 0.207E-02 0.271E-03
DAV: 20 -0.900847290734E+02 -0.78096E-04 -0.11095E-05 433 0.129E-02 0.411E-03
DAV: 21 -0.900847512547E+02 -0.22181E-04 -0.26025E-06 488 0.755E-03 0.187E-03
DAV: 22 -0.900847600504E+02 -0.87957E-05 -0.28969E-06 401 0.804E-03
1 F= -.90084760E+02 E0= -.90088828E+02 d E =0.122049E-01