./iterations/neb0_image04_iter204_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 0.363029640272E+03 0.36303E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.144477510762E+01 -0.36158E+03 -0.34879E+03 853 0.193E+02
DAV: 3 -0.959969183840E+02 -0.97442E+02 -0.97143E+02 661 0.116E+02
DAV: 4 -0.100297465591E+03 -0.43005E+01 -0.42916E+01 701 0.280E+01
DAV: 5 -0.100380578526E+03 -0.83113E-01 -0.83085E-01 720 0.350E+00 0.223E+01
DAV: 6 -0.916656356883E+02 0.87149E+01 -0.31077E+01 685 0.297E+01 0.117E+01
DAV: 7 -0.908007242941E+02 0.86491E+00 -0.17942E+00 704 0.637E+00 0.483E+00
DAV: 8 -0.903894476465E+02 0.41128E+00 -0.56314E-01 704 0.438E+00 0.169E+00
DAV: 9 -0.902972157966E+02 0.92232E-01 -0.12617E-01 720 0.205E+00 0.518E-01
DAV: 10 -0.902851634159E+02 0.12052E-01 -0.37502E-02 720 0.976E-01 0.365E-01
DAV: 11 -0.902873462868E+02 -0.21829E-02 -0.12476E-02 768 0.811E-01 0.296E-01
DAV: 12 -0.902883216290E+02 -0.97534E-03 -0.43031E-03 741 0.608E-01 0.119E-01
DAV: 13 -0.902925503552E+02 -0.42287E-02 -0.35910E-03 628 0.314E-01 0.993E-02
DAV: 14 -0.902962461518E+02 -0.36958E-02 -0.79068E-04 637 0.172E-01 0.514E-02
DAV: 15 -0.902994353513E+02 -0.31892E-02 -0.68446E-04 653 0.144E-01 0.318E-02
DAV: 16 -0.903014643726E+02 -0.20290E-02 -0.24195E-04 688 0.106E-01 0.187E-02
DAV: 17 -0.903026767373E+02 -0.12124E-02 -0.19429E-04 658 0.629E-02 0.210E-02
DAV: 18 -0.903030840199E+02 -0.40728E-03 -0.12467E-04 808 0.829E-02 0.133E-02
DAV: 19 -0.903032179744E+02 -0.13395E-03 -0.34935E-05 608 0.289E-02 0.146E-02
DAV: 20 -0.903032588603E+02 -0.40886E-04 -0.57350E-06 509 0.166E-02 0.963E-03
DAV: 21 -0.903033680193E+02 -0.10916E-03 -0.45877E-05 537 0.399E-02 0.683E-03
DAV: 22 -0.903033767271E+02 -0.87078E-05 -0.42692E-06 504 0.144E-02
1 F= -.90303377E+02 E0= -.90311848E+02 d E =0.254144E-01