iterations/neb0_image03_iter88_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 0.367075531177E+03 0.36708E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.280070826334E+01 -0.36427E+03 -0.35176E+03 853 0.195E+02
DAV: 3 -0.955945033520E+02 -0.98395E+02 -0.98076E+02 661 0.116E+02
DAV: 4 -0.100124245017E+03 -0.45297E+01 -0.45201E+01 720 0.287E+01
DAV: 5 -0.100212607465E+03 -0.88362E-01 -0.88327E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916417754772E+02 0.85708E+01 -0.30640E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.907966295888E+02 0.84515E+00 -0.18252E+00 704 0.639E+00 0.483E+00
DAV: 8 -0.903924814496E+02 0.40415E+00 -0.57164E-01 688 0.431E+00 0.165E+00
DAV: 9 -0.902978352322E+02 0.94646E-01 -0.13629E-01 696 0.174E+00 0.438E-01
DAV: 10 -0.902899277018E+02 0.79075E-02 -0.47198E-02 712 0.115E+00 0.336E-01
DAV: 11 -0.902935986601E+02 -0.36710E-02 -0.76235E-03 605 0.573E-01 0.113E-01
DAV: 12 -0.902960357036E+02 -0.24370E-02 -0.43552E-03 639 0.294E-01 0.117E-01
DAV: 13 -0.903006193254E+02 -0.45836E-02 -0.20060E-03 832 0.350E-01 0.844E-02
DAV: 14 -0.903033710985E+02 -0.27518E-02 -0.78407E-04 664 0.137E-01 0.592E-02
DAV: 15 -0.903060343809E+02 -0.26633E-02 -0.73706E-04 669 0.160E-01 0.287E-02
DAV: 16 -0.903076681792E+02 -0.16338E-02 -0.22798E-04 688 0.800E-02 0.191E-02
DAV: 17 -0.903084234352E+02 -0.75526E-03 -0.84908E-05 600 0.417E-02 0.121E-02
DAV: 18 -0.903087094456E+02 -0.28601E-03 -0.49779E-05 664 0.359E-02 0.680E-03
DAV: 19 -0.903088122602E+02 -0.10281E-03 -0.72369E-06 480 0.152E-02 0.410E-03
DAV: 20 -0.903088686559E+02 -0.56396E-04 -0.76646E-06 453 0.144E-02 0.130E-03
DAV: 21 -0.903089000864E+02 -0.31430E-04 -0.39676E-06 440 0.726E-03 0.146E-03
DAV: 22 -0.903089051174E+02 -0.50310E-05 -0.69868E-07 528 0.476E-03
1 F= -.90308905E+02 E0= -.90317098E+02 d E =0.245784E-01