iterations/neb0_image01_iter59_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 0.366691562593E+03 0.36669E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.345296618220E+01 -0.36324E+03 -0.34981E+03 839 0.195E+02
DAV: 3 -0.956273541520E+02 -0.99080E+02 -0.98738E+02 672 0.116E+02
DAV: 4 -0.100200945400E+03 -0.45736E+01 -0.45639E+01 685 0.287E+01
DAV: 5 -0.100292451828E+03 -0.91506E-01 -0.91453E-01 744 0.362E+00 0.222E+01
DAV: 6 -0.916736233821E+02 0.86188E+01 -0.31169E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908622405391E+02 0.81138E+00 -0.18281E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904810734749E+02 0.38117E+00 -0.55548E-01 704 0.426E+00 0.168E+00
DAV: 9 -0.903952169607E+02 0.85857E-01 -0.13761E-01 704 0.165E+00 0.429E-01
DAV: 10 -0.903895314597E+02 0.56855E-02 -0.45951E-02 736 0.126E+00 0.317E-01
DAV: 11 -0.903933194240E+02 -0.37880E-02 -0.68440E-03 608 0.480E-01 0.145E-01
DAV: 12 -0.903967803305E+02 -0.34609E-02 -0.67788E-03 632 0.474E-01 0.125E-01
DAV: 13 -0.903996107596E+02 -0.28304E-02 -0.12097E-03 800 0.295E-01 0.785E-02
DAV: 14 -0.904025496493E+02 -0.29389E-02 -0.16511E-03 631 0.197E-01 0.620E-02
DAV: 15 -0.904047388543E+02 -0.21892E-02 -0.46265E-04 736 0.144E-01 0.440E-02
DAV: 16 -0.904058564318E+02 -0.11176E-02 -0.61332E-04 661 0.139E-01 0.346E-02
DAV: 17 -0.904067890590E+02 -0.93263E-03 -0.17957E-04 742 0.888E-02 0.220E-02
DAV: 18 -0.904069578581E+02 -0.16880E-03 -0.44022E-05 704 0.332E-02 0.149E-02
DAV: 19 -0.904072206279E+02 -0.26277E-03 -0.53033E-05 627 0.379E-02 0.357E-03
DAV: 20 -0.904072789008E+02 -0.58273E-04 -0.51701E-06 480 0.123E-02 0.413E-03
DAV: 21 -0.904073230897E+02 -0.44189E-04 -0.47167E-06 428 0.106E-02 0.306E-03
DAV: 22 -0.904073439334E+02 -0.20844E-04 -0.39632E-06 477 0.866E-03 0.215E-03
DAV: 23 -0.904073462244E+02 -0.22910E-05 -0.12982E-06 520 0.672E-03
1 F= -.90407346E+02 E0= -.90412409E+02 d E =0.151881E-01