iterations/neb0_image08_iter284_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 0.375012143367E+03 0.37501E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.434265745138E+01 -0.37067E+03 -0.35836E+03 869 0.196E+02
DAV: 3 -0.963575235395E+02 -0.10070E+03 -0.10037E+03 648 0.117E+02
DAV: 4 -0.101253283259E+03 -0.48958E+01 -0.48844E+01 712 0.302E+01
DAV: 5 -0.101350061780E+03 -0.96779E-01 -0.96740E-01 720 0.384E+00 0.228E+01
DAV: 6 -0.926633774262E+02 0.86867E+01 -0.30772E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.917868344422E+02 0.87654E+00 -0.17149E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914116392972E+02 0.37520E+00 -0.54882E-01 728 0.401E+00 0.161E+00
DAV: 9 -0.913315808186E+02 0.80058E-01 -0.12938E-01 736 0.154E+00 0.421E-01
DAV: 10 -0.913231374458E+02 0.84434E-02 -0.44936E-02 733 0.108E+00 0.305E-01
DAV: 11 -0.913279580229E+02 -0.48206E-02 -0.14363E-02 608 0.616E-01 0.157E-01
DAV: 12 -0.913309106094E+02 -0.29526E-02 -0.28923E-03 634 0.232E-01 0.111E-01
DAV: 13 -0.913347103943E+02 -0.37998E-02 -0.26133E-03 639 0.268E-01 0.561E-02
DAV: 14 -0.913379305327E+02 -0.32201E-02 -0.86775E-04 664 0.173E-01 0.266E-02
DAV: 15 -0.913393478527E+02 -0.14173E-02 -0.17380E-04 680 0.696E-02 0.194E-02
DAV: 16 -0.913403153913E+02 -0.96754E-03 -0.14420E-04 674 0.716E-02 0.111E-02
DAV: 17 -0.913408029503E+02 -0.48756E-03 -0.42565E-05 656 0.293E-02 0.112E-02
DAV: 18 -0.913409294569E+02 -0.12651E-03 -0.12190E-05 504 0.224E-02 0.596E-03
DAV: 19 -0.913410835604E+02 -0.15410E-03 -0.26476E-05 513 0.226E-02 0.437E-03
DAV: 20 -0.913410975384E+02 -0.13978E-04 -0.17684E-06 520 0.977E-03 0.263E-03
DAV: 21 -0.913411181168E+02 -0.20578E-04 -0.57779E-06 403 0.148E-02 0.274E-03
DAV: 22 -0.913411222247E+02 -0.41079E-05 -0.11103E-06 485 0.737E-03
1 F= -.91341122E+02 E0= -.91345872E+02 d E =0.142481E-01