iterations/neb0_image02_iter203_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 0.366985676659E+03 0.36699E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.210347742693E+01 -0.36488E+03 -0.35284E+03 861 0.196E+02
DAV: 3 -0.956567159164E+02 -0.97760E+02 -0.97428E+02 648 0.116E+02
DAV: 4 -0.100246693487E+03 -0.45900E+01 -0.45797E+01 712 0.291E+01
DAV: 5 -0.100336433727E+03 -0.89740E-01 -0.89703E-01 736 0.366E+00 0.223E+01
DAV: 6 -0.916815659783E+02 0.86549E+01 -0.30906E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908567657593E+02 0.82480E+00 -0.18329E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904750171390E+02 0.38175E+00 -0.55648E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903892339180E+02 0.85783E-01 -0.13671E-01 720 0.167E+00 0.430E-01
DAV: 10 -0.903840069786E+02 0.52269E-02 -0.49384E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903874450544E+02 -0.34381E-02 -0.74568E-03 616 0.578E-01 0.128E-01
DAV: 12 -0.903905281554E+02 -0.30831E-02 -0.71245E-03 648 0.434E-01 0.134E-01
DAV: 13 -0.903932067037E+02 -0.26785E-02 -0.18950E-03 853 0.341E-01 0.821E-02
DAV: 14 -0.903963351277E+02 -0.31284E-02 -0.13361E-03 629 0.169E-01 0.683E-02
DAV: 15 -0.903982826306E+02 -0.19475E-02 -0.34826E-04 688 0.108E-01 0.498E-02
DAV: 16 -0.903997731028E+02 -0.14905E-02 -0.92858E-04 677 0.176E-01 0.385E-02
DAV: 17 -0.904004543992E+02 -0.68130E-03 -0.14765E-04 784 0.846E-02 0.231E-02
DAV: 18 -0.904007580664E+02 -0.30367E-03 -0.81302E-05 672 0.437E-02 0.724E-03
DAV: 19 -0.904009272783E+02 -0.16921E-03 -0.25550E-05 538 0.243E-02 0.544E-03
DAV: 20 -0.904009661944E+02 -0.38916E-04 -0.36289E-06 504 0.118E-02 0.478E-03
DAV: 21 -0.904010197571E+02 -0.53563E-04 -0.11078E-05 412 0.170E-02 0.291E-03
DAV: 22 -0.904010227861E+02 -0.30290E-05 -0.29882E-06 512 0.103E-02
1 F= -.90401023E+02 E0= -.90407930E+02 d E =0.207230E-01