iterations/neb0_image05_iter160_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 0.366690301102E+03 0.36669E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.171101792444E+01 -0.36498E+03 -0.35177E+03 869 0.193E+02
DAV: 3 -0.952866027037E+02 -0.96998E+02 -0.96659E+02 656 0.115E+02
DAV: 4 -0.997978017087E+02 -0.45112E+01 -0.45012E+01 720 0.286E+01
DAV: 5 -0.998885829452E+02 -0.90781E-01 -0.90745E-01 728 0.362E+00 0.220E+01
DAV: 6 -0.914694264151E+02 0.84192E+01 -0.30208E+01 672 0.296E+01 0.116E+01
DAV: 7 -0.906787552826E+02 0.79067E+00 -0.17921E+00 728 0.634E+00 0.479E+00
DAV: 8 -0.903021335359E+02 0.37662E+00 -0.53703E-01 712 0.426E+00 0.169E+00
DAV: 9 -0.902128582521E+02 0.89275E-01 -0.13546E-01 720 0.165E+00 0.446E-01
DAV: 10 -0.902048592603E+02 0.79990E-02 -0.47361E-02 760 0.131E+00 0.338E-01
DAV: 11 -0.902071023004E+02 -0.22430E-02 -0.58099E-03 632 0.572E-01 0.160E-01
DAV: 12 -0.902094021231E+02 -0.22998E-02 -0.66161E-03 616 0.407E-01 0.114E-01
DAV: 13 -0.902124678631E+02 -0.30657E-02 -0.10177E-03 642 0.209E-01 0.811E-02
DAV: 14 -0.902164114068E+02 -0.39435E-02 -0.20793E-03 649 0.220E-01 0.615E-02
DAV: 15 -0.902190064967E+02 -0.25951E-02 -0.44746E-04 752 0.130E-01 0.257E-02
DAV: 16 -0.902207857262E+02 -0.17792E-02 -0.44610E-04 677 0.102E-01 0.323E-02
DAV: 17 -0.902212138987E+02 -0.42817E-03 -0.45576E-05 648 0.508E-02 0.216E-02
DAV: 18 -0.902218064629E+02 -0.59256E-03 -0.13559E-04 668 0.618E-02 0.964E-03
DAV: 19 -0.902219533741E+02 -0.14691E-03 -0.12799E-05 504 0.255E-02 0.563E-03
DAV: 20 -0.902220238774E+02 -0.70503E-04 -0.15004E-05 464 0.197E-02 0.297E-03
DAV: 21 -0.902220651010E+02 -0.41224E-04 -0.35272E-06 463 0.117E-02 0.200E-03
DAV: 22 -0.902220810413E+02 -0.15940E-04 -0.27396E-06 448 0.692E-03 0.170E-03
DAV: 23 -0.902220843351E+02 -0.32938E-05 -0.98230E-07 474 0.753E-03
1 F= -.90222084E+02 E0= -.90230477E+02 d E =0.251782E-01