iterations/neb0_image01_iter262_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 0.362897719262E+03 0.36290E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.317991665800E+01 -0.35972E+03 -0.34606E+03 831 0.195E+02
DAV: 3 -0.955814298462E+02 -0.98761E+02 -0.98411E+02 664 0.116E+02
DAV: 4 -0.100247361621E+03 -0.46659E+01 -0.46536E+01 696 0.291E+01
DAV: 5 -0.100338514633E+03 -0.91153E-01 -0.91116E-01 728 0.367E+00 0.222E+01
DAV: 6 -0.917062641495E+02 0.86323E+01 -0.30947E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908945144985E+02 0.81175E+00 -0.18306E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905155766803E+02 0.37894E+00 -0.55597E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904317438001E+02 0.83833E-01 -0.13539E-01 728 0.165E+00 0.426E-01
DAV: 10 -0.904268726162E+02 0.48712E-02 -0.45597E-02 728 0.124E+00 0.316E-01
DAV: 11 -0.904306793874E+02 -0.38068E-02 -0.65195E-03 608 0.493E-01 0.137E-01
DAV: 12 -0.904342740424E+02 -0.35947E-02 -0.71367E-03 637 0.496E-01 0.131E-01
DAV: 13 -0.904368546647E+02 -0.25806E-02 -0.16320E-03 869 0.313E-01 0.744E-02
DAV: 14 -0.904398787204E+02 -0.30241E-02 -0.13012E-03 642 0.171E-01 0.588E-02
DAV: 15 -0.904418230762E+02 -0.19444E-02 -0.37108E-04 680 0.113E-01 0.469E-02
DAV: 16 -0.904433006170E+02 -0.14775E-02 -0.84305E-04 666 0.173E-01 0.354E-02
DAV: 17 -0.904440101527E+02 -0.70954E-03 -0.12315E-04 680 0.790E-02 0.273E-02
DAV: 18 -0.904442728390E+02 -0.26269E-03 -0.11573E-04 656 0.557E-02 0.953E-03
DAV: 19 -0.904444351812E+02 -0.16234E-03 -0.31497E-05 522 0.290E-02 0.599E-03
DAV: 20 -0.904444651792E+02 -0.29998E-04 -0.54976E-06 488 0.166E-02 0.780E-03
DAV: 21 -0.904444955113E+02 -0.30332E-04 -0.52410E-06 425 0.145E-02 0.496E-03
DAV: 22 -0.904445068970E+02 -0.11386E-04 -0.51726E-06 480 0.140E-02 0.209E-03
DAV: 23 -0.904445084362E+02 -0.15392E-05 -0.16859E-06 536 0.766E-03
1 F= -.90444508E+02 E0= -.90449796E+02 d E =0.158613E-01