iterations/neb0_image07_iter65_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 0.378530314807E+03 0.37853E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.443227848161E+01 -0.37410E+03 -0.36077E+03 869 0.196E+02
DAV: 3 -0.964068555338E+02 -0.10084E+03 -0.10051E+03 672 0.117E+02
DAV: 4 -0.100888373802E+03 -0.44815E+01 -0.44711E+01 704 0.284E+01
DAV: 5 -0.100976169412E+03 -0.87796E-01 -0.87758E-01 720 0.358E+00 0.228E+01
DAV: 6 -0.923262570773E+02 0.86499E+01 -0.30660E+01 701 0.302E+01 0.120E+01
DAV: 7 -0.914394587195E+02 0.88680E+00 -0.16739E+00 736 0.616E+00 0.483E+00
DAV: 8 -0.910538802497E+02 0.38558E+00 -0.56628E-01 696 0.411E+00 0.163E+00
DAV: 9 -0.909689107307E+02 0.84970E-01 -0.13267E-01 712 0.156E+00 0.429E-01
DAV: 10 -0.909588755379E+02 0.10035E-01 -0.48461E-02 744 0.113E+00 0.313E-01
DAV: 11 -0.909631919779E+02 -0.43164E-02 -0.12167E-02 613 0.581E-01 0.138E-01
DAV: 12 -0.909663657870E+02 -0.31738E-02 -0.35994E-03 605 0.283E-01 0.136E-01
DAV: 13 -0.909700438505E+02 -0.36781E-02 -0.18267E-03 717 0.271E-01 0.526E-02
DAV: 14 -0.909727158554E+02 -0.26720E-02 -0.68465E-04 656 0.120E-01 0.500E-02
DAV: 15 -0.909754620526E+02 -0.27462E-02 -0.28320E-04 634 0.820E-02 0.359E-02
DAV: 16 -0.909766513278E+02 -0.11893E-02 -0.35316E-04 677 0.942E-02 0.231E-02
DAV: 17 -0.909772552431E+02 -0.60392E-03 -0.95205E-05 653 0.597E-02 0.123E-02
DAV: 18 -0.909774179258E+02 -0.16268E-03 -0.27950E-05 600 0.264E-02 0.900E-03
DAV: 19 -0.909774921776E+02 -0.74252E-04 -0.14237E-05 469 0.257E-02 0.345E-03
DAV: 20 -0.909775107223E+02 -0.18545E-04 -0.69247E-06 528 0.148E-02 0.368E-03
DAV: 21 -0.909775377598E+02 -0.27037E-04 -0.32729E-06 404 0.107E-02 0.189E-03
DAV: 22 -0.909775498377E+02 -0.12078E-04 -0.21805E-06 453 0.676E-03 0.122E-03
DAV: 23 -0.909775525493E+02 -0.27116E-05 -0.51599E-07 463 0.438E-03
1 F= -.90977553E+02 E0= -.90982722E+02 d E =0.155088E-01