iterations/neb0_image05_iter23_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 0.363276506589E+03 0.36328E+03 -0.14264E+04 632 0.799E+02
DAV: 2 0.496828504055E+01 -0.35831E+03 -0.34621E+03 861 0.193E+02
DAV: 3 -0.926067674535E+02 -0.97575E+02 -0.97088E+02 664 0.115E+02
DAV: 4 -0.972924120848E+02 -0.46856E+01 -0.46697E+01 720 0.288E+01
DAV: 5 -0.973924026827E+02 -0.99991E-01 -0.99934E-01 728 0.373E+00 0.213E+01
DAV: 6 -0.891657300623E+02 0.82267E+01 -0.30522E+01 696 0.298E+01 0.110E+01
DAV: 7 -0.884490173173E+02 0.71671E+00 -0.15824E+00 728 0.667E+00 0.470E+00
DAV: 8 -0.880980696130E+02 0.35095E+00 -0.62725E-01 704 0.439E+00 0.166E+00
DAV: 9 -0.880170063918E+02 0.81063E-01 -0.13228E-01 728 0.177E+00 0.460E-01
DAV: 10 -0.880085538666E+02 0.84525E-02 -0.21830E-02 736 0.771E-01 0.289E-01
DAV: 11 -0.880112930203E+02 -0.27392E-02 -0.14229E-02 602 0.784E-01 0.166E-01
DAV: 12 -0.880127418772E+02 -0.14489E-02 -0.25275E-03 672 0.373E-01 0.116E-01
DAV: 13 -0.880171612097E+02 -0.44193E-02 -0.53158E-03 612 0.450E-01 0.113E-01
DAV: 14 -0.880195232623E+02 -0.23621E-02 -0.12820E-03 845 0.280E-01 0.509E-02
DAV: 15 -0.880216183152E+02 -0.20951E-02 -0.12594E-03 653 0.220E-01 0.568E-02
DAV: 16 -0.880231788870E+02 -0.15606E-02 -0.36847E-04 821 0.146E-01 0.275E-02
DAV: 17 -0.880238623880E+02 -0.68350E-03 -0.22278E-04 717 0.877E-02 0.158E-02
DAV: 18 -0.880246501596E+02 -0.78777E-03 -0.90426E-05 641 0.467E-02 0.993E-03
DAV: 19 -0.880248986984E+02 -0.24854E-03 -0.24520E-05 557 0.260E-02 0.548E-03
DAV: 20 -0.880250367533E+02 -0.13805E-03 -0.15202E-05 442 0.176E-02 0.180E-03
DAV: 21 -0.880250826199E+02 -0.45867E-04 -0.57815E-06 485 0.861E-03 0.165E-03
DAV: 22 -0.880250993675E+02 -0.16748E-04 -0.25448E-06 434 0.600E-03 0.482E-04
DAV: 23 -0.880251029246E+02 -0.35571E-05 -0.99777E-07 474 0.380E-03
1 F= -.88025103E+02 E0= -.88028984E+02 d E =0.116427E-01