./iterations/neb0_image02_iter85_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 0.368144460956E+03 0.36814E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.469661465027E+01 -0.36345E+03 -0.34871E+03 834 0.195E+02
DAV: 3 -0.956130486189E+02 -0.10031E+03 -0.99978E+02 680 0.116E+02
DAV: 4 -0.100187285159E+03 -0.45742E+01 -0.45634E+01 704 0.283E+01
DAV: 5 -0.100276905025E+03 -0.89620E-01 -0.89576E-01 728 0.354E+00 0.222E+01
DAV: 6 -0.916613905684E+02 0.86155E+01 -0.30971E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908373927545E+02 0.82400E+00 -0.18308E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904496967770E+02 0.38770E+00 -0.55924E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903592248294E+02 0.90472E-01 -0.13927E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903527790755E+02 0.64458E-02 -0.48397E-02 704 0.128E+00 0.325E-01
DAV: 11 -0.903564677789E+02 -0.36887E-02 -0.74474E-03 616 0.496E-01 0.145E-01
DAV: 12 -0.903599003673E+02 -0.34326E-02 -0.73247E-03 610 0.469E-01 0.133E-01
DAV: 13 -0.903625427586E+02 -0.26424E-02 -0.15182E-03 920 0.330E-01 0.791E-02
DAV: 14 -0.903656800383E+02 -0.31373E-02 -0.14258E-03 634 0.183E-01 0.581E-02
DAV: 15 -0.903679826346E+02 -0.23026E-02 -0.38320E-04 672 0.111E-01 0.442E-02
DAV: 16 -0.903694172896E+02 -0.14347E-02 -0.68234E-04 653 0.148E-01 0.330E-02
DAV: 17 -0.903703051622E+02 -0.88787E-03 -0.16493E-04 778 0.875E-02 0.204E-02
DAV: 18 -0.903704548325E+02 -0.14967E-03 -0.44176E-05 712 0.348E-02 0.105E-02
DAV: 19 -0.903706621343E+02 -0.20730E-03 -0.34741E-05 559 0.293E-02 0.354E-03
DAV: 20 -0.903707073804E+02 -0.45246E-04 -0.40384E-06 480 0.107E-02 0.455E-03
DAV: 21 -0.903707539454E+02 -0.46565E-04 -0.60811E-06 423 0.143E-02 0.376E-03
DAV: 22 -0.903707694050E+02 -0.15460E-04 -0.40452E-06 477 0.110E-02 0.265E-03
DAV: 23 -0.903707710041E+02 -0.15992E-05 -0.23269E-06 544 0.906E-03
1 F= -.90370771E+02 E0= -.90376314E+02 d E =0.166301E-01