./iterations/neb0_image03_iter174_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 0.364174865531E+03 0.36417E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.210118388053E+00 -0.36396E+03 -0.35387E+03 858 0.195E+02
DAV: 3 -0.960899085349E+02 -0.96300E+02 -0.95993E+02 672 0.115E+02
DAV: 4 -0.100253444399E+03 -0.41635E+01 -0.41524E+01 712 0.275E+01
DAV: 5 -0.100334774424E+03 -0.81330E-01 -0.81292E-01 736 0.346E+00 0.222E+01
DAV: 6 -0.917166444848E+02 0.86181E+01 -0.30957E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908745167800E+02 0.84213E+00 -0.18025E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904766812063E+02 0.39784E+00 -0.54562E-01 704 0.424E+00 0.169E+00
DAV: 9 -0.903803805082E+02 0.96301E-01 -0.13723E-01 704 0.190E+00 0.441E-01
DAV: 10 -0.903726540156E+02 0.77265E-02 -0.41551E-02 712 0.109E+00 0.332E-01
DAV: 11 -0.903779393481E+02 -0.52853E-02 -0.14386E-02 608 0.763E-01 0.187E-01
DAV: 12 -0.903787747661E+02 -0.83542E-03 -0.43829E-03 656 0.438E-01 0.119E-01
DAV: 13 -0.903829875343E+02 -0.42128E-02 -0.35858E-03 690 0.349E-01 0.881E-02
DAV: 14 -0.903861586111E+02 -0.31711E-02 -0.70621E-04 677 0.152E-01 0.487E-02
DAV: 15 -0.903887598279E+02 -0.26012E-02 -0.62680E-04 653 0.133E-01 0.234E-02
DAV: 16 -0.903904011730E+02 -0.16413E-02 -0.18042E-04 680 0.692E-02 0.204E-02
DAV: 17 -0.903913178694E+02 -0.91670E-03 -0.12261E-04 717 0.689E-02 0.116E-02
DAV: 18 -0.903918013243E+02 -0.48345E-03 -0.68658E-05 666 0.458E-02 0.113E-02
DAV: 19 -0.903919523900E+02 -0.15107E-03 -0.18985E-05 496 0.270E-02 0.610E-03
DAV: 20 -0.903920513482E+02 -0.98958E-04 -0.18075E-05 479 0.223E-02 0.245E-03
DAV: 21 -0.903921038967E+02 -0.52548E-04 -0.71655E-06 464 0.121E-02 0.279E-03
DAV: 22 -0.903921162773E+02 -0.12381E-04 -0.17253E-06 496 0.732E-03 0.171E-03
DAV: 23 -0.903921217264E+02 -0.54491E-05 -0.23244E-06 432 0.879E-03
1 F= -.90392122E+02 E0= -.90400853E+02 d E =0.261932E-01