./iterations/neb0_image09_iter50_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 0.374412892135E+03 0.37441E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.249922510245E+01 -0.37191E+03 -0.35953E+03 877 0.196E+02
DAV: 3 -0.967340354300E+02 -0.99233E+02 -0.98899E+02 664 0.117E+02
DAV: 4 -0.101215566109E+03 -0.44815E+01 -0.44724E+01 688 0.285E+01
DAV: 5 -0.101304911601E+03 -0.89345E-01 -0.89305E-01 736 0.363E+00 0.227E+01
DAV: 6 -0.926628912840E+02 0.86420E+01 -0.30856E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917966586615E+02 0.86623E+00 -0.17117E+00 728 0.616E+00 0.479E+00
DAV: 8 -0.914192337668E+02 0.37742E+00 -0.54713E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.913368478729E+02 0.82386E-01 -0.13055E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913278119235E+02 0.90359E-02 -0.46399E-02 760 0.113E+00 0.306E-01
DAV: 11 -0.913323502655E+02 -0.45383E-02 -0.13858E-02 616 0.609E-01 0.151E-01
DAV: 12 -0.913352474693E+02 -0.28972E-02 -0.30133E-03 620 0.242E-01 0.117E-01
DAV: 13 -0.913391524896E+02 -0.39050E-02 -0.18620E-03 696 0.237E-01 0.452E-02
DAV: 14 -0.913423438761E+02 -0.31914E-02 -0.54153E-04 672 0.131E-01 0.316E-02
DAV: 15 -0.913439685851E+02 -0.16247E-02 -0.13429E-04 688 0.631E-02 0.325E-02
DAV: 16 -0.913452969161E+02 -0.13283E-02 -0.35163E-04 647 0.975E-02 0.207E-02
DAV: 17 -0.913455533606E+02 -0.25644E-03 -0.43032E-05 656 0.489E-02 0.131E-02
DAV: 18 -0.913457729879E+02 -0.21963E-03 -0.43801E-05 570 0.336E-02 0.104E-02
DAV: 19 -0.913458859744E+02 -0.11299E-03 -0.10642E-05 464 0.198E-02 0.515E-03
DAV: 20 -0.913459184154E+02 -0.32441E-04 -0.11288E-05 472 0.193E-02 0.247E-03
DAV: 21 -0.913459434886E+02 -0.25073E-04 -0.33278E-06 422 0.893E-03 0.215E-03
DAV: 22 -0.913459501264E+02 -0.66379E-05 -0.12162E-06 448 0.472E-03
1 F= -.91345950E+02 E0= -.91350490E+02 d E =0.136210E-01