iterations/neb0_image07_iter286_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 0.375804775607E+03 0.37580E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.503536198129E+01 -0.37077E+03 -0.35945E+03 855 0.195E+02
DAV: 3 -0.962659338864E+02 -0.10130E+03 -0.10097E+03 640 0.117E+02
DAV: 4 -0.101235758751E+03 -0.49698E+01 -0.49569E+01 720 0.303E+01
DAV: 5 -0.101334896131E+03 -0.99137E-01 -0.99097E-01 728 0.388E+00 0.228E+01
DAV: 6 -0.926311048058E+02 0.87038E+01 -0.30995E+01 712 0.300E+01 0.119E+01
DAV: 7 -0.917482496100E+02 0.88286E+00 -0.17061E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.913679229449E+02 0.38033E+00 -0.54097E-01 736 0.394E+00 0.162E+00
DAV: 9 -0.912836557179E+02 0.84267E-01 -0.12833E-01 736 0.152E+00 0.424E-01
DAV: 10 -0.912739483817E+02 0.97073E-02 -0.44843E-02 749 0.108E+00 0.299E-01
DAV: 11 -0.912790137774E+02 -0.50654E-02 -0.13648E-02 613 0.604E-01 0.158E-01
DAV: 12 -0.912819875100E+02 -0.29737E-02 -0.30526E-03 609 0.231E-01 0.109E-01
DAV: 13 -0.912861090180E+02 -0.41215E-02 -0.27373E-03 649 0.273E-01 0.603E-02
DAV: 14 -0.912896510144E+02 -0.35420E-02 -0.11467E-03 669 0.196E-01 0.333E-02
DAV: 15 -0.912910117909E+02 -0.13608E-02 -0.19170E-04 672 0.748E-02 0.205E-02
DAV: 16 -0.912919504815E+02 -0.93869E-03 -0.15916E-04 634 0.777E-02 0.113E-02
DAV: 17 -0.912924173187E+02 -0.46684E-03 -0.56378E-05 653 0.329E-02 0.133E-02
DAV: 18 -0.912925109136E+02 -0.93595E-04 -0.85737E-06 504 0.205E-02 0.719E-03
DAV: 19 -0.912926564892E+02 -0.14558E-03 -0.41667E-05 537 0.347E-02 0.673E-03
DAV: 20 -0.912926643397E+02 -0.78505E-05 -0.36454E-06 528 0.141E-02
1 F= -.91292664E+02 E0= -.91297435E+02 d E =0.143113E-01