iterations/neb0_image04_iter143_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 0.365193214784E+03 0.36519E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.227171615392E+01 -0.36292E+03 -0.34910E+03 866 0.194E+02
DAV: 3 -0.956460772251E+02 -0.97918E+02 -0.97604E+02 669 0.115E+02
DAV: 4 -0.100086642240E+03 -0.44406E+01 -0.44281E+01 728 0.282E+01
DAV: 5 -0.100171744007E+03 -0.85102E-01 -0.85066E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.915305708528E+02 0.86412E+01 -0.30548E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.906763371415E+02 0.85423E+00 -0.18098E+00 712 0.630E+00 0.482E+00
DAV: 8 -0.902737643374E+02 0.40257E+00 -0.56223E-01 704 0.426E+00 0.163E+00
DAV: 9 -0.901792259474E+02 0.94538E-01 -0.13199E-01 712 0.168E+00 0.436E-01
DAV: 10 -0.901701682404E+02 0.90577E-02 -0.46698E-02 704 0.112E+00 0.334E-01
DAV: 11 -0.901754131157E+02 -0.52449E-02 -0.10989E-02 672 0.673E-01 0.158E-01
DAV: 12 -0.901766160957E+02 -0.12030E-02 -0.28700E-03 672 0.338E-01 0.107E-01
DAV: 13 -0.901799210614E+02 -0.33050E-02 -0.13259E-03 615 0.177E-01 0.741E-02
DAV: 14 -0.901842995213E+02 -0.43785E-02 -0.10873E-03 658 0.132E-01 0.356E-02
DAV: 15 -0.901865386134E+02 -0.22391E-02 -0.22231E-04 688 0.860E-02 0.286E-02
DAV: 16 -0.901885489025E+02 -0.20103E-02 -0.34404E-04 665 0.104E-01 0.216E-02
DAV: 17 -0.901890088046E+02 -0.45990E-03 -0.47905E-05 712 0.564E-02 0.128E-02
DAV: 18 -0.901896126950E+02 -0.60389E-03 -0.11879E-04 644 0.526E-02 0.110E-02
DAV: 19 -0.901897006837E+02 -0.87989E-04 -0.10765E-05 485 0.303E-02 0.499E-03
DAV: 20 -0.901898286089E+02 -0.12793E-03 -0.34847E-05 545 0.285E-02 0.681E-03
DAV: 21 -0.901898578690E+02 -0.29260E-04 -0.43154E-06 496 0.202E-02 0.240E-03
DAV: 22 -0.901898741972E+02 -0.16328E-04 -0.79995E-06 415 0.151E-02 0.331E-03
DAV: 23 -0.901898823071E+02 -0.81100E-05 -0.13953E-06 466 0.652E-03
1 F= -.90189882E+02 E0= -.90198989E+02 d E =0.273202E-01