./iterations/neb0_image01_iter138_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 0.365782425105E+03 0.36578E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.326264791144E+01 -0.36252E+03 -0.34949E+03 836 0.195E+02
DAV: 3 -0.956355778377E+02 -0.98898E+02 -0.98551E+02 666 0.116E+02
DAV: 4 -0.100201258211E+03 -0.45657E+01 -0.45550E+01 704 0.287E+01
DAV: 5 -0.100291937923E+03 -0.90680E-01 -0.90632E-01 736 0.361E+00 0.222E+01
DAV: 6 -0.916756678082E+02 0.86163E+01 -0.31148E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908771637982E+02 0.79850E+00 -0.18229E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905008228472E+02 0.37634E+00 -0.55239E-01 704 0.427E+00 0.167E+00
DAV: 9 -0.904177697140E+02 0.83053E-01 -0.13507E-01 712 0.164E+00 0.424E-01
DAV: 10 -0.904129438039E+02 0.48259E-02 -0.46417E-02 712 0.124E+00 0.318E-01
DAV: 11 -0.904168353255E+02 -0.38915E-02 -0.68471E-03 608 0.511E-01 0.132E-01
DAV: 12 -0.904204748518E+02 -0.36395E-02 -0.71771E-03 632 0.486E-01 0.134E-01
DAV: 13 -0.904229668461E+02 -0.24920E-02 -0.16772E-03 848 0.322E-01 0.746E-02
DAV: 14 -0.904259454869E+02 -0.29786E-02 -0.13998E-03 628 0.182E-01 0.636E-02
DAV: 15 -0.904278133272E+02 -0.18678E-02 -0.36008E-04 680 0.113E-01 0.512E-02
DAV: 16 -0.904291795948E+02 -0.13663E-02 -0.94055E-04 661 0.185E-01 0.365E-02
DAV: 17 -0.904299642827E+02 -0.78469E-03 -0.13424E-04 669 0.800E-02 0.296E-02
DAV: 18 -0.904302427240E+02 -0.27844E-03 -0.10221E-04 664 0.522E-02 0.119E-02
DAV: 19 -0.904304056300E+02 -0.16291E-03 -0.45384E-05 647 0.339E-02 0.711E-03
DAV: 20 -0.904304363399E+02 -0.30710E-04 -0.37294E-06 496 0.149E-02 0.824E-03
DAV: 21 -0.904304753444E+02 -0.39005E-04 -0.68676E-06 401 0.154E-02 0.529E-03
DAV: 22 -0.904304862214E+02 -0.10877E-04 -0.55063E-06 480 0.149E-02 0.240E-03
DAV: 23 -0.904304878624E+02 -0.16410E-05 -0.19087E-06 536 0.837E-03
1 F= -.90430488E+02 E0= -.90436036E+02 d E =0.166439E-01