iterations/neb0_image06_iter167_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 0.370946922086E+03 0.37095E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.348485401473E+01 -0.36746E+03 -0.35580E+03 877 0.193E+02
DAV: 3 -0.959503146602E+02 -0.99435E+02 -0.99101E+02 682 0.116E+02
DAV: 4 -0.100499065770E+03 -0.45488E+01 -0.45364E+01 704 0.280E+01
DAV: 5 -0.100589290877E+03 -0.90225E-01 -0.90175E-01 736 0.353E+00 0.226E+01
DAV: 6 -0.920203733675E+02 0.85689E+01 -0.30748E+01 717 0.303E+01 0.118E+01
DAV: 7 -0.912012947704E+02 0.81908E+00 -0.17257E+00 720 0.626E+00 0.480E+00
DAV: 8 -0.908275948288E+02 0.37370E+00 -0.53526E-01 728 0.405E+00 0.168E+00
DAV: 9 -0.907376943374E+02 0.89900E-01 -0.13058E-01 728 0.159E+00 0.422E-01
DAV: 10 -0.907277575088E+02 0.99368E-02 -0.35978E-02 776 0.948E-01 0.281E-01
DAV: 11 -0.907317764536E+02 -0.40189E-02 -0.89485E-03 602 0.490E-01 0.139E-01
DAV: 12 -0.907344860091E+02 -0.27096E-02 -0.17934E-03 642 0.249E-01 0.850E-02
DAV: 13 -0.907386221252E+02 -0.41361E-02 -0.18437E-03 633 0.206E-01 0.650E-02
DAV: 14 -0.907415424679E+02 -0.29203E-02 -0.10255E-03 840 0.239E-01 0.398E-02
DAV: 15 -0.907436339494E+02 -0.20915E-02 -0.38324E-04 631 0.984E-02 0.447E-02
DAV: 16 -0.907447159817E+02 -0.10820E-02 -0.30924E-04 744 0.113E-01 0.202E-02
DAV: 17 -0.907456290105E+02 -0.91303E-03 -0.17454E-04 658 0.660E-02 0.151E-02
DAV: 18 -0.907458989459E+02 -0.26994E-03 -0.21404E-05 536 0.237E-02 0.102E-02
DAV: 19 -0.907460508885E+02 -0.15194E-03 -0.30439E-05 527 0.276E-02 0.307E-03
DAV: 20 -0.907460671090E+02 -0.16221E-04 -0.39393E-06 528 0.117E-02 0.217E-03
DAV: 21 -0.907460968123E+02 -0.29703E-04 -0.41471E-06 395 0.960E-03 0.226E-03
DAV: 22 -0.907461005447E+02 -0.37324E-05 -0.75013E-07 504 0.497E-03
1 F= -.90746101E+02 E0= -.90751067E+02 d E =0.149003E-01