./iterations/neb0_image04_iter262_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 0.367056531254E+03 0.36706E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.843857620056E+00 -0.36621E+03 -0.35503E+03 855 0.195E+02
DAV: 3 -0.961057037232E+02 -0.96950E+02 -0.96657E+02 664 0.116E+02
DAV: 4 -0.100358355501E+03 -0.42527E+01 -0.42435E+01 696 0.277E+01
DAV: 5 -0.100441445764E+03 -0.83090E-01 -0.83063E-01 728 0.345E+00 0.224E+01
DAV: 6 -0.916995391392E+02 0.87419E+01 -0.31246E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908379221804E+02 0.86162E+00 -0.18285E+00 712 0.663E+00 0.486E+00
DAV: 8 -0.904239207694E+02 0.41400E+00 -0.54802E-01 704 0.459E+00 0.179E+00
DAV: 9 -0.903328068034E+02 0.91114E-01 -0.16054E-01 720 0.211E+00 0.575E-01
DAV: 10 -0.903183568902E+02 0.14450E-01 -0.37531E-02 712 0.104E+00 0.352E-01
DAV: 11 -0.903200188596E+02 -0.16620E-02 -0.12846E-02 704 0.573E-01 0.223E-01
DAV: 12 -0.903231260062E+02 -0.31071E-02 -0.31720E-03 629 0.424E-01 0.130E-01
DAV: 13 -0.903263504123E+02 -0.32244E-02 -0.20718E-03 634 0.317E-01 0.114E-01
DAV: 14 -0.903297866458E+02 -0.34362E-02 -0.23728E-03 785 0.320E-01 0.609E-02
DAV: 15 -0.903318937004E+02 -0.21071E-02 -0.46980E-04 664 0.123E-01 0.465E-02
DAV: 16 -0.903343700013E+02 -0.24763E-02 -0.74825E-04 740 0.178E-01 0.316E-02
DAV: 17 -0.903353933164E+02 -0.10233E-02 -0.15069E-04 680 0.663E-02 0.291E-02
DAV: 18 -0.903359419629E+02 -0.54865E-03 -0.96562E-05 716 0.612E-02 0.118E-02
DAV: 19 -0.903363982608E+02 -0.45630E-03 -0.95150E-05 655 0.537E-02 0.108E-02
DAV: 20 -0.903364773958E+02 -0.79135E-04 -0.72554E-06 520 0.173E-02 0.826E-03
DAV: 21 -0.903365464649E+02 -0.69069E-04 -0.15700E-05 452 0.243E-02 0.367E-03
DAV: 22 -0.903365840686E+02 -0.37604E-04 -0.62393E-06 469 0.127E-02 0.270E-03
DAV: 23 -0.903365897064E+02 -0.56378E-05 -0.17996E-06 536 0.768E-03
1 F= -.90336590E+02 E0= -.90344889E+02 d E =0.248988E-01