./iterations/neb0_image01_iter152_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 0.365825358503E+03 0.36583E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.324147784593E+01 -0.36258E+03 -0.34971E+03 836 0.196E+02
DAV: 3 -0.955221897576E+02 -0.98764E+02 -0.98414E+02 658 0.116E+02
DAV: 4 -0.100210723575E+03 -0.46885E+01 -0.46774E+01 696 0.291E+01
DAV: 5 -0.100304619131E+03 -0.93896E-01 -0.93847E-01 728 0.369E+00 0.222E+01
DAV: 6 -0.916776975404E+02 0.86269E+01 -0.31000E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908759460576E+02 0.80175E+00 -0.18314E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905011080710E+02 0.37484E+00 -0.55264E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904193850106E+02 0.81723E-01 -0.13147E-01 720 0.168E+00 0.423E-01
DAV: 10 -0.904148780905E+02 0.45069E-02 -0.47592E-02 712 0.124E+00 0.325E-01
DAV: 11 -0.904190722547E+02 -0.41942E-02 -0.85500E-03 608 0.611E-01 0.117E-01
DAV: 12 -0.904222289151E+02 -0.31567E-02 -0.61062E-03 632 0.417E-01 0.128E-01
DAV: 13 -0.904248161212E+02 -0.25872E-02 -0.13917E-03 845 0.293E-01 0.782E-02
DAV: 14 -0.904281041079E+02 -0.32880E-02 -0.16885E-03 650 0.216E-01 0.745E-02
DAV: 15 -0.904295615934E+02 -0.14575E-02 -0.29815E-04 776 0.124E-01 0.550E-02
DAV: 16 -0.904308629438E+02 -0.13014E-02 -0.10817E-03 661 0.202E-01 0.385E-02
DAV: 17 -0.904317356583E+02 -0.87271E-03 -0.16104E-04 730 0.839E-02 0.316E-02
DAV: 18 -0.904319828931E+02 -0.24723E-03 -0.40263E-05 688 0.324E-02 0.226E-02
DAV: 19 -0.904322636650E+02 -0.28077E-03 -0.10591E-04 638 0.617E-02 0.782E-03
DAV: 20 -0.904322920927E+02 -0.28428E-04 -0.16666E-05 536 0.265E-02 0.743E-03
DAV: 21 -0.904323372414E+02 -0.45149E-04 -0.12137E-05 410 0.213E-02 0.804E-03
DAV: 22 -0.904323577041E+02 -0.20463E-04 -0.39924E-06 474 0.152E-02 0.543E-03
DAV: 23 -0.904323644351E+02 -0.67310E-05 -0.88692E-06 464 0.180E-02
1 F= -.90432364E+02 E0= -.90438730E+02 d E =0.190972E-01