./iterations/neb0_image09_iter64_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 0.374745286333E+03 0.37475E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.257060213448E+01 -0.37217E+03 -0.35980E+03 877 0.196E+02
DAV: 3 -0.966755380628E+02 -0.99246E+02 -0.98909E+02 656 0.117E+02
DAV: 4 -0.101213795013E+03 -0.45383E+01 -0.45290E+01 696 0.289E+01
DAV: 5 -0.101303720415E+03 -0.89925E-01 -0.89887E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926587178224E+02 0.86450E+01 -0.30858E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917972705533E+02 0.86145E+00 -0.17170E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914208822241E+02 0.37639E+00 -0.54496E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913379839113E+02 0.82898E-01 -0.13019E-01 704 0.154E+00 0.422E-01
DAV: 10 -0.913289638441E+02 0.90201E-02 -0.45713E-02 752 0.111E+00 0.304E-01
DAV: 11 -0.913336975360E+02 -0.47337E-02 -0.13813E-02 605 0.607E-01 0.155E-01
DAV: 12 -0.913365618268E+02 -0.28643E-02 -0.30336E-03 639 0.245E-01 0.112E-01
DAV: 13 -0.913403658540E+02 -0.38040E-02 -0.16588E-03 704 0.222E-01 0.447E-02
DAV: 14 -0.913438652215E+02 -0.34994E-02 -0.63096E-04 669 0.144E-01 0.316E-02
DAV: 15 -0.913451616979E+02 -0.12965E-02 -0.13661E-04 680 0.730E-02 0.339E-02
DAV: 16 -0.913464635617E+02 -0.13019E-02 -0.34675E-04 644 0.101E-01 0.203E-02
DAV: 17 -0.913467877581E+02 -0.32420E-03 -0.42304E-05 688 0.482E-02 0.143E-02
DAV: 18 -0.913470541781E+02 -0.26642E-03 -0.72260E-05 637 0.459E-02 0.144E-02
DAV: 19 -0.913471418710E+02 -0.87693E-04 -0.15309E-05 480 0.251E-02 0.613E-03
DAV: 20 -0.913471799057E+02 -0.38035E-04 -0.10749E-05 448 0.169E-02 0.181E-03
DAV: 21 -0.913472075112E+02 -0.27606E-04 -0.45930E-06 428 0.100E-02 0.160E-03
DAV: 22 -0.913472121339E+02 -0.46227E-05 -0.10644E-06 488 0.443E-03
1 F= -.91347212E+02 E0= -.91351979E+02 d E =0.143001E-01