iterations/neb0_image02_iter132_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 0.364488037670E+03 0.36449E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.388515732921E+01 -0.36060E+03 -0.34619E+03 834 0.194E+02
DAV: 3 -0.955942478944E+02 -0.99479E+02 -0.99146E+02 672 0.116E+02
DAV: 4 -0.100208802421E+03 -0.46146E+01 -0.46032E+01 720 0.285E+01
DAV: 5 -0.100297504388E+03 -0.88702E-01 -0.88662E-01 736 0.357E+00 0.222E+01
DAV: 6 -0.916751385623E+02 0.86224E+01 -0.30945E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908589705020E+02 0.81617E+00 -0.18485E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904755773832E+02 0.38339E+00 -0.55684E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903867178317E+02 0.88860E-01 -0.13990E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903807503314E+02 0.59675E-02 -0.48095E-02 704 0.131E+00 0.325E-01
DAV: 11 -0.903842054113E+02 -0.34551E-02 -0.69713E-03 608 0.496E-01 0.155E-01
DAV: 12 -0.903875753274E+02 -0.33699E-02 -0.79297E-03 632 0.497E-01 0.134E-01
DAV: 13 -0.903904871321E+02 -0.29118E-02 -0.17366E-03 976 0.348E-01 0.834E-02
DAV: 14 -0.903934269529E+02 -0.29398E-02 -0.12873E-03 637 0.166E-01 0.590E-02
DAV: 15 -0.903957418055E+02 -0.23149E-02 -0.42276E-04 661 0.111E-01 0.442E-02
DAV: 16 -0.903971697074E+02 -0.14279E-02 -0.62868E-04 664 0.143E-01 0.306E-02
DAV: 17 -0.903980265104E+02 -0.85680E-03 -0.13656E-04 661 0.760E-02 0.223E-02
DAV: 18 -0.903982249544E+02 -0.19844E-03 -0.60582E-05 672 0.389E-02 0.974E-03
DAV: 19 -0.903983901122E+02 -0.16516E-03 -0.29448E-05 538 0.281E-02 0.395E-03
DAV: 20 -0.903984359560E+02 -0.45844E-04 -0.39235E-06 472 0.116E-02 0.476E-03
DAV: 21 -0.903984680604E+02 -0.32104E-04 -0.55966E-06 442 0.145E-02 0.529E-03
DAV: 22 -0.903984872283E+02 -0.19168E-04 -0.44108E-06 469 0.133E-02 0.286E-03
DAV: 23 -0.903984900794E+02 -0.28511E-05 -0.38302E-06 504 0.109E-02
1 F= -.90398490E+02 E0= -.90404696E+02 d E =0.186166E-01