iterations/neb0_image08_iter162_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 0.373710679242E+03 0.37371E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.367671274275E+01 -0.37003E+03 -0.35794E+03 863 0.196E+02
DAV: 3 -0.966396786287E+02 -0.10032E+03 -0.10001E+03 669 0.117E+02
DAV: 4 -0.101215910596E+03 -0.45762E+01 -0.45624E+01 720 0.284E+01
DAV: 5 -0.101306199371E+03 -0.90289E-01 -0.90232E-01 712 0.361E+00 0.227E+01
DAV: 6 -0.926380088187E+02 0.86682E+01 -0.31032E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917810178404E+02 0.85699E+00 -0.17397E+00 712 0.616E+00 0.479E+00
DAV: 8 -0.914073826624E+02 0.37364E+00 -0.53934E-01 720 0.394E+00 0.162E+00
DAV: 9 -0.913261247501E+02 0.81258E-01 -0.13119E-01 720 0.155E+00 0.420E-01
DAV: 10 -0.913179913306E+02 0.81334E-02 -0.43677E-02 760 0.109E+00 0.296E-01
DAV: 11 -0.913226186173E+02 -0.46273E-02 -0.12413E-02 608 0.581E-01 0.139E-01
DAV: 12 -0.913255830547E+02 -0.29644E-02 -0.27015E-03 633 0.248E-01 0.104E-01
DAV: 13 -0.913289357138E+02 -0.33527E-02 -0.13290E-03 642 0.192E-01 0.443E-02
DAV: 14 -0.913321331567E+02 -0.31974E-02 -0.68477E-04 672 0.166E-01 0.329E-02
DAV: 15 -0.913335244305E+02 -0.13913E-02 -0.19503E-04 680 0.868E-02 0.346E-02
DAV: 16 -0.913348313483E+02 -0.13069E-02 -0.29581E-04 656 0.917E-02 0.150E-02
DAV: 17 -0.913353301692E+02 -0.49882E-03 -0.51760E-05 608 0.447E-02 0.137E-02
DAV: 18 -0.913355481012E+02 -0.21793E-03 -0.50599E-05 648 0.390E-02 0.113E-02
DAV: 19 -0.913356420547E+02 -0.93953E-04 -0.13985E-05 480 0.238E-02 0.443E-03
DAV: 20 -0.913356739702E+02 -0.31915E-04 -0.63685E-06 464 0.124E-02 0.219E-03
DAV: 21 -0.913356994273E+02 -0.25457E-04 -0.39802E-06 420 0.105E-02 0.144E-03
DAV: 22 -0.913357049215E+02 -0.54942E-05 -0.11329E-06 488 0.524E-03
1 F= -.91335705E+02 E0= -.91340783E+02 d E =0.152345E-01