./iterations/neb0_image08_iter85_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 0.375507373763E+03 0.37551E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.367452723104E+01 -0.37183E+03 -0.35849E+03 869 0.196E+02
DAV: 3 -0.966864236062E+02 -0.10036E+03 -0.10002E+03 688 0.117E+02
DAV: 4 -0.101084685488E+03 -0.43983E+01 -0.43881E+01 688 0.276E+01
DAV: 5 -0.101172390343E+03 -0.87705E-01 -0.87666E-01 728 0.348E+00 0.226E+01
DAV: 6 -0.925765027641E+02 0.85959E+01 -0.30768E+01 698 0.302E+01 0.119E+01
DAV: 7 -0.917172804699E+02 0.85922E+00 -0.16799E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913382394613E+02 0.37904E+00 -0.55881E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912552977927E+02 0.82942E-01 -0.12911E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.912459033404E+02 0.93945E-02 -0.47008E-02 728 0.112E+00 0.307E-01
DAV: 11 -0.912506086579E+02 -0.47053E-02 -0.13806E-02 624 0.605E-01 0.156E-01
DAV: 12 -0.912535602373E+02 -0.29516E-02 -0.32182E-03 618 0.251E-01 0.128E-01
DAV: 13 -0.912572974983E+02 -0.37373E-02 -0.18957E-03 757 0.252E-01 0.459E-02
DAV: 14 -0.912603406638E+02 -0.30432E-02 -0.52376E-04 648 0.115E-01 0.405E-02
DAV: 15 -0.912624479999E+02 -0.21073E-02 -0.18693E-04 653 0.654E-02 0.380E-02
DAV: 16 -0.912635714389E+02 -0.11234E-02 -0.38797E-04 666 0.988E-02 0.228E-02
DAV: 17 -0.912638594092E+02 -0.28797E-03 -0.60626E-05 672 0.575E-02 0.133E-02
DAV: 18 -0.912641028126E+02 -0.24340E-03 -0.54066E-05 626 0.332E-02 0.118E-02
DAV: 19 -0.912641531973E+02 -0.50385E-04 -0.64856E-06 488 0.208E-02 0.617E-03
DAV: 20 -0.912641919456E+02 -0.38748E-04 -0.23623E-05 482 0.294E-02 0.687E-03
DAV: 21 -0.912642110937E+02 -0.19148E-04 -0.45078E-06 464 0.177E-02 0.302E-03
DAV: 22 -0.912642193553E+02 -0.82616E-05 -0.34811E-06 424 0.922E-03
1 F= -.91264219E+02 E0= -.91269185E+02 d E =0.148965E-01