./iterations/neb0_image02_iter137_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 0.364265030606E+03 0.36427E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.377436417735E+01 -0.36049E+03 -0.34623E+03 837 0.195E+02
DAV: 3 -0.955236739135E+02 -0.99298E+02 -0.98962E+02 664 0.116E+02
DAV: 4 -0.100213367044E+03 -0.46897E+01 -0.46780E+01 720 0.289E+01
DAV: 5 -0.100304514951E+03 -0.91148E-01 -0.91106E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916717941572E+02 0.86327E+01 -0.31004E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908601477754E+02 0.81165E+00 -0.18568E+00 704 0.636E+00 0.484E+00
DAV: 8 -0.904778431742E+02 0.38230E+00 -0.55396E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903892408661E+02 0.88602E-01 -0.13892E-01 704 0.167E+00 0.432E-01
DAV: 10 -0.903834653605E+02 0.57755E-02 -0.50955E-02 704 0.133E+00 0.332E-01
DAV: 11 -0.903868911151E+02 -0.34258E-02 -0.74323E-03 608 0.524E-01 0.150E-01
DAV: 12 -0.903903666510E+02 -0.34755E-02 -0.87559E-03 632 0.512E-01 0.143E-01
DAV: 13 -0.903929629934E+02 -0.25963E-02 -0.21127E-03 912 0.375E-01 0.838E-02
DAV: 14 -0.903960117877E+02 -0.30488E-02 -0.14405E-03 637 0.182E-01 0.671E-02
DAV: 15 -0.903981759662E+02 -0.21642E-02 -0.39677E-04 664 0.108E-01 0.516E-02
DAV: 16 -0.903996753908E+02 -0.14994E-02 -0.87656E-04 661 0.175E-01 0.345E-02
DAV: 17 -0.904005421587E+02 -0.86677E-03 -0.14760E-04 664 0.799E-02 0.270E-02
DAV: 18 -0.904007642583E+02 -0.22210E-03 -0.72557E-05 688 0.423E-02 0.115E-02
DAV: 19 -0.904009413960E+02 -0.17714E-03 -0.41085E-05 626 0.331E-02 0.598E-03
DAV: 20 -0.904009775126E+02 -0.36117E-04 -0.51678E-06 480 0.186E-02 0.648E-03
DAV: 21 -0.904010006144E+02 -0.23102E-04 -0.60367E-06 464 0.143E-02 0.662E-03
DAV: 22 -0.904010299069E+02 -0.29293E-04 -0.50459E-06 431 0.146E-02 0.330E-03
DAV: 23 -0.904010340708E+02 -0.41638E-05 -0.78569E-06 504 0.155E-02
1 F= -.90401034E+02 E0= -.90406962E+02 d E =0.177830E-01