./iterations/neb0_image08_iter140_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 0.375084955642E+03 0.37508E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.347247944056E+01 -0.37161E+03 -0.35927E+03 869 0.196E+02
DAV: 3 -0.967304834461E+02 -0.10020E+03 -0.99881E+02 669 0.117E+02
DAV: 4 -0.101226362932E+03 -0.44959E+01 -0.44848E+01 728 0.283E+01
DAV: 5 -0.101314588305E+03 -0.88225E-01 -0.88193E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.926464322187E+02 0.86682E+01 -0.30824E+01 698 0.300E+01 0.119E+01
DAV: 7 -0.917732185513E+02 0.87321E+00 -0.17195E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913947877480E+02 0.37843E+00 -0.55430E-01 720 0.401E+00 0.161E+00
DAV: 9 -0.913147687539E+02 0.80019E-01 -0.13190E-01 704 0.157E+00 0.423E-01
DAV: 10 -0.913066198426E+02 0.81489E-02 -0.46086E-02 768 0.113E+00 0.305E-01
DAV: 11 -0.913110787637E+02 -0.44589E-02 -0.12549E-02 608 0.587E-01 0.135E-01
DAV: 12 -0.913141881278E+02 -0.31094E-02 -0.30203E-03 622 0.257E-01 0.113E-01
DAV: 13 -0.913176389321E+02 -0.34508E-02 -0.11863E-03 698 0.197E-01 0.464E-02
DAV: 14 -0.913207820029E+02 -0.31431E-02 -0.74539E-04 664 0.150E-01 0.400E-02
DAV: 15 -0.913224414978E+02 -0.16595E-02 -0.19609E-04 720 0.890E-02 0.414E-02
DAV: 16 -0.913236620634E+02 -0.12206E-02 -0.39252E-04 645 0.991E-02 0.184E-02
DAV: 17 -0.913240818196E+02 -0.41976E-03 -0.62076E-05 680 0.533E-02 0.139E-02
DAV: 18 -0.913243482297E+02 -0.26641E-03 -0.45534E-05 559 0.302E-02 0.977E-03
DAV: 19 -0.913244044984E+02 -0.56269E-04 -0.59115E-06 488 0.144E-02 0.506E-03
DAV: 20 -0.913244449006E+02 -0.40402E-04 -0.89689E-06 415 0.190E-02 0.190E-03
DAV: 21 -0.913244614310E+02 -0.16530E-04 -0.32381E-06 445 0.849E-03 0.246E-03
DAV: 22 -0.913244633680E+02 -0.19370E-05 -0.39600E-07 520 0.376E-03
1 F= -.91324463E+02 E0= -.91329368E+02 d E =0.147139E-01