iterations/neb0_image01_iter148_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 0.365305239344E+03 0.36531E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.317828908652E+01 -0.36213E+03 -0.34931E+03 836 0.195E+02
DAV: 3 -0.955436586674E+02 -0.98722E+02 -0.98372E+02 666 0.116E+02
DAV: 4 -0.100181794754E+03 -0.46381E+01 -0.46267E+01 704 0.287E+01
DAV: 5 -0.100275128316E+03 -0.93334E-01 -0.93285E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916696958728E+02 0.86054E+01 -0.31018E+01 696 0.299E+01 0.116E+01
DAV: 7 -0.908740547673E+02 0.79564E+00 -0.18307E+00 704 0.641E+00 0.484E+00
DAV: 8 -0.904991015062E+02 0.37495E+00 -0.55576E-01 704 0.429E+00 0.166E+00
DAV: 9 -0.904173839223E+02 0.81718E-01 -0.13194E-01 728 0.167E+00 0.422E-01
DAV: 10 -0.904127571580E+02 0.46268E-02 -0.47462E-02 712 0.124E+00 0.323E-01
DAV: 11 -0.904168680612E+02 -0.41109E-02 -0.80102E-03 608 0.580E-01 0.119E-01
DAV: 12 -0.904202282757E+02 -0.33602E-02 -0.64995E-03 632 0.440E-01 0.133E-01
DAV: 13 -0.904226508830E+02 -0.24226E-02 -0.15840E-03 853 0.309E-01 0.766E-02
DAV: 14 -0.904258389808E+02 -0.31881E-02 -0.15730E-03 642 0.204E-01 0.718E-02
DAV: 15 -0.904274260692E+02 -0.15871E-02 -0.29877E-04 688 0.114E-01 0.573E-02
DAV: 16 -0.904287468596E+02 -0.13208E-02 -0.11185E-03 661 0.206E-01 0.378E-02
DAV: 17 -0.904295924975E+02 -0.84564E-03 -0.14719E-04 658 0.831E-02 0.330E-02
DAV: 18 -0.904299246038E+02 -0.33211E-03 -0.74794E-05 680 0.420E-02 0.200E-02
DAV: 19 -0.904301135468E+02 -0.18894E-03 -0.11214E-04 633 0.605E-02 0.105E-02
DAV: 20 -0.904301364098E+02 -0.22863E-04 -0.11095E-05 536 0.219E-02 0.975E-03
DAV: 21 -0.904301752520E+02 -0.38842E-04 -0.80463E-06 404 0.158E-02 0.665E-03
DAV: 22 -0.904301881078E+02 -0.12856E-04 -0.48544E-06 480 0.157E-02 0.299E-03
DAV: 23 -0.904301925842E+02 -0.44763E-05 -0.51434E-06 456 0.133E-02
1 F= -.90430193E+02 E0= -.90435981E+02 d E =0.173667E-01