./iterations/neb0_image09_iter291_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 0.374260641254E+03 0.37426E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.332762020479E+01 -0.37093E+03 -0.35825E+03 866 0.196E+02
DAV: 3 -0.966698455828E+02 -0.99997E+02 -0.99672E+02 656 0.117E+02
DAV: 4 -0.101280145276E+03 -0.46103E+01 -0.45994E+01 712 0.291E+01
DAV: 5 -0.101371636405E+03 -0.91491E-01 -0.91450E-01 728 0.371E+00 0.227E+01
DAV: 6 -0.926784023604E+02 0.86932E+01 -0.30990E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918101484149E+02 0.86825E+00 -0.17263E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914351274106E+02 0.37502E+00 -0.54227E-01 704 0.396E+00 0.163E+00
DAV: 9 -0.913536952024E+02 0.81432E-01 -0.13159E-01 720 0.154E+00 0.420E-01
DAV: 10 -0.913454655434E+02 0.82297E-02 -0.44776E-02 768 0.107E+00 0.303E-01
DAV: 11 -0.913501989612E+02 -0.47334E-02 -0.13386E-02 608 0.600E-01 0.146E-01
DAV: 12 -0.913531343346E+02 -0.29354E-02 -0.27931E-03 629 0.224E-01 0.113E-01
DAV: 13 -0.913569996941E+02 -0.38654E-02 -0.24459E-03 677 0.260E-01 0.515E-02
DAV: 14 -0.913602471982E+02 -0.32475E-02 -0.59063E-04 664 0.129E-01 0.240E-02
DAV: 15 -0.913617303333E+02 -0.14831E-02 -0.11842E-04 696 0.536E-02 0.186E-02
DAV: 16 -0.913628936403E+02 -0.11633E-02 -0.18568E-04 645 0.632E-02 0.147E-02
DAV: 17 -0.913630960598E+02 -0.20242E-03 -0.14615E-05 496 0.277E-02 0.109E-02
DAV: 18 -0.913633344569E+02 -0.23840E-03 -0.67900E-05 612 0.420E-02 0.936E-03
DAV: 19 -0.913633592263E+02 -0.24769E-04 -0.70350E-06 512 0.244E-02 0.436E-03
DAV: 20 -0.913633881140E+02 -0.28888E-04 -0.10879E-05 418 0.179E-02 0.258E-03
DAV: 21 -0.913634065498E+02 -0.18436E-04 -0.37228E-06 448 0.907E-03 0.335E-03
DAV: 22 -0.913634096656E+02 -0.31157E-05 -0.72787E-07 487 0.674E-03
1 F= -.91363410E+02 E0= -.91368116E+02 d E =0.141178E-01