iterations/neb0_image01_iter254_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 0.362829663141E+03 0.36283E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.315289531373E+01 -0.35968E+03 -0.34601E+03 831 0.195E+02
DAV: 3 -0.955829966323E+02 -0.98736E+02 -0.98386E+02 664 0.116E+02
DAV: 4 -0.100245488414E+03 -0.46625E+01 -0.46501E+01 696 0.291E+01
DAV: 5 -0.100336666157E+03 -0.91178E-01 -0.91140E-01 736 0.367E+00 0.222E+01
DAV: 6 -0.917033521152E+02 0.86333E+01 -0.30948E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908934488905E+02 0.80990E+00 -0.18327E+00 704 0.639E+00 0.485E+00
DAV: 8 -0.905148138581E+02 0.37864E+00 -0.55482E-01 704 0.430E+00 0.168E+00
DAV: 9 -0.904310738308E+02 0.83740E-01 -0.13497E-01 720 0.165E+00 0.425E-01
DAV: 10 -0.904263056987E+02 0.47681E-02 -0.46363E-02 736 0.124E+00 0.319E-01
DAV: 11 -0.904301798956E+02 -0.38742E-02 -0.66713E-03 608 0.508E-01 0.134E-01
DAV: 12 -0.904338092233E+02 -0.36293E-02 -0.71699E-03 637 0.489E-01 0.134E-01
DAV: 13 -0.904363331626E+02 -0.25239E-02 -0.16911E-03 885 0.319E-01 0.741E-02
DAV: 14 -0.904393753751E+02 -0.30422E-02 -0.13076E-03 642 0.173E-01 0.610E-02
DAV: 15 -0.904412882667E+02 -0.19129E-02 -0.36779E-04 680 0.111E-01 0.493E-02
DAV: 16 -0.904427320625E+02 -0.14438E-02 -0.86440E-04 666 0.177E-01 0.343E-02
DAV: 17 -0.904434696194E+02 -0.73756E-03 -0.12254E-04 672 0.761E-02 0.287E-02
DAV: 18 -0.904437663825E+02 -0.29676E-03 -0.11955E-04 653 0.572E-02 0.975E-03
DAV: 19 -0.904439084613E+02 -0.14208E-03 -0.34693E-05 573 0.306E-02 0.760E-03
DAV: 20 -0.904439426137E+02 -0.34152E-04 -0.50180E-06 472 0.150E-02 0.861E-03
DAV: 21 -0.904439728467E+02 -0.30233E-04 -0.65672E-06 425 0.185E-02 0.417E-03
DAV: 22 -0.904439791183E+02 -0.62716E-05 -0.63633E-06 488 0.138E-02
1 F= -.90443979E+02 E0= -.90449708E+02 d E =0.171862E-01