iterations/neb0_image01_iter170_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 0.365723177100E+03 0.36572E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.319802475640E+01 -0.36253E+03 -0.34963E+03 839 0.196E+02
DAV: 3 -0.955888638592E+02 -0.98787E+02 -0.98438E+02 669 0.116E+02
DAV: 4 -0.100222160104E+03 -0.46333E+01 -0.46223E+01 680 0.287E+01
DAV: 5 -0.100315560904E+03 -0.93401E-01 -0.93349E-01 728 0.363E+00 0.222E+01
DAV: 6 -0.916852133817E+02 0.86303E+01 -0.31025E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908816169842E+02 0.80360E+00 -0.18279E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905063367758E+02 0.37528E+00 -0.55384E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904244176719E+02 0.81919E-01 -0.13242E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904198063908E+02 0.46113E-02 -0.47088E-02 720 0.124E+00 0.322E-01
DAV: 11 -0.904239040117E+02 -0.40976E-02 -0.79285E-03 608 0.571E-01 0.120E-01
DAV: 12 -0.904272524777E+02 -0.33485E-02 -0.64299E-03 637 0.443E-01 0.131E-01
DAV: 13 -0.904296845783E+02 -0.24321E-02 -0.16254E-03 861 0.309E-01 0.752E-02
DAV: 14 -0.904328712693E+02 -0.31867E-02 -0.14800E-03 631 0.194E-01 0.691E-02
DAV: 15 -0.904344463904E+02 -0.15751E-02 -0.29808E-04 696 0.113E-01 0.548E-02
DAV: 16 -0.904358244582E+02 -0.13781E-02 -0.11257E-03 661 0.207E-01 0.399E-02
DAV: 17 -0.904366322876E+02 -0.80783E-03 -0.14757E-04 661 0.830E-02 0.343E-02
DAV: 18 -0.904369413136E+02 -0.30903E-03 -0.76349E-05 672 0.435E-02 0.201E-02
DAV: 19 -0.904371350157E+02 -0.19370E-03 -0.10569E-04 636 0.588E-02 0.929E-03
DAV: 20 -0.904371643236E+02 -0.29308E-04 -0.11387E-05 520 0.223E-02 0.101E-02
DAV: 21 -0.904372012903E+02 -0.36967E-04 -0.75632E-06 407 0.158E-02 0.767E-03
DAV: 22 -0.904372158783E+02 -0.14588E-04 -0.55947E-06 480 0.195E-02 0.328E-03
DAV: 23 -0.904372192323E+02 -0.33540E-05 -0.78484E-06 496 0.157E-02
1 F= -.90437219E+02 E0= -.90442605E+02 d E =0.161573E-01