iterations/neb0_image09_iter25_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 0.374470286566E+03 0.37447E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.197401452787E+01 -0.37250E+03 -0.35995E+03 885 0.196E+02
DAV: 3 -0.969070932037E+02 -0.98881E+02 -0.98558E+02 672 0.116E+02
DAV: 4 -0.101264548323E+03 -0.43575E+01 -0.43478E+01 696 0.278E+01
DAV: 5 -0.101349141663E+03 -0.84593E-01 -0.84550E-01 736 0.352E+00 0.228E+01
DAV: 6 -0.926237726587E+02 0.87254E+01 -0.30932E+01 701 0.300E+01 0.120E+01
DAV: 7 -0.917217218894E+02 0.90205E+00 -0.16887E+00 728 0.610E+00 0.479E+00
DAV: 8 -0.913402896326E+02 0.38143E+00 -0.53382E-01 712 0.392E+00 0.165E+00
DAV: 9 -0.912568659437E+02 0.83424E-01 -0.13730E-01 712 0.158E+00 0.432E-01
DAV: 10 -0.912481966741E+02 0.86693E-02 -0.42623E-02 768 0.109E+00 0.294E-01
DAV: 11 -0.912522167619E+02 -0.40201E-02 -0.11560E-02 621 0.568E-01 0.132E-01
DAV: 12 -0.912553229822E+02 -0.31062E-02 -0.24682E-03 631 0.234E-01 0.114E-01
DAV: 13 -0.912593816201E+02 -0.40586E-02 -0.21446E-03 653 0.242E-01 0.461E-02
DAV: 14 -0.912622775778E+02 -0.28960E-02 -0.54052E-04 680 0.148E-01 0.266E-02
DAV: 15 -0.912642923134E+02 -0.20147E-02 -0.23492E-04 656 0.739E-02 0.277E-02
DAV: 16 -0.912652995347E+02 -0.10072E-02 -0.15512E-04 672 0.734E-02 0.105E-02
DAV: 17 -0.912659586020E+02 -0.65907E-03 -0.62250E-05 575 0.362E-02 0.134E-02
DAV: 18 -0.912661281395E+02 -0.16954E-03 -0.28607E-05 632 0.367E-02 0.725E-03
DAV: 19 -0.912662383639E+02 -0.11022E-03 -0.16053E-05 434 0.227E-02 0.372E-03
DAV: 20 -0.912662577638E+02 -0.19400E-04 -0.44328E-06 512 0.101E-02 0.327E-03
DAV: 21 -0.912662720464E+02 -0.14283E-04 -0.18953E-06 407 0.856E-03 0.161E-03
DAV: 22 -0.912662852421E+02 -0.13196E-04 -0.31515E-06 423 0.872E-03 0.168E-03
DAV: 23 -0.912662858373E+02 -0.59519E-06 -0.45231E-07 536 0.420E-03
1 F= -.91266286E+02 E0= -.91270846E+02 d E =0.136804E-01