./iterations/neb0_image06_iter249_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 0.373876565607E+03 0.37388E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.505930815211E+01 -0.36882E+03 -0.35648E+03 855 0.194E+02
DAV: 3 -0.950849012910E+02 -0.10014E+03 -0.99757E+02 656 0.117E+02
DAV: 4 -0.999767436588E+02 -0.48918E+01 -0.48763E+01 728 0.294E+01
DAV: 5 -0.100079510214E+03 -0.10277E+00 -0.10271E+00 720 0.378E+00 0.225E+01
DAV: 6 -0.915274019353E+02 0.85521E+01 -0.30109E+01 688 0.303E+01 0.118E+01
DAV: 7 -0.906962167416E+02 0.83119E+00 -0.17296E+00 720 0.633E+00 0.481E+00
DAV: 8 -0.903214515932E+02 0.37477E+00 -0.56338E-01 720 0.417E+00 0.167E+00
DAV: 9 -0.902324890654E+02 0.88963E-01 -0.12813E-01 720 0.161E+00 0.432E-01
DAV: 10 -0.902226999251E+02 0.97891E-02 -0.34287E-02 736 0.916E-01 0.286E-01
DAV: 11 -0.902267481192E+02 -0.40482E-02 -0.10627E-02 602 0.565E-01 0.166E-01
DAV: 12 -0.902285280761E+02 -0.17800E-02 -0.34095E-03 632 0.352E-01 0.884E-02
DAV: 13 -0.902328079248E+02 -0.42798E-02 -0.23893E-03 609 0.243E-01 0.818E-02
DAV: 14 -0.902351182386E+02 -0.23103E-02 -0.59952E-04 832 0.186E-01 0.324E-02
DAV: 15 -0.902380207698E+02 -0.29025E-02 -0.53077E-04 622 0.114E-01 0.365E-02
DAV: 16 -0.902396829252E+02 -0.16622E-02 -0.25549E-04 818 0.105E-01 0.187E-02
DAV: 17 -0.902405069690E+02 -0.82404E-03 -0.14018E-04 669 0.565E-02 0.159E-02
DAV: 18 -0.902407439277E+02 -0.23696E-03 -0.26555E-05 549 0.281E-02 0.869E-03
DAV: 19 -0.902408908377E+02 -0.14691E-03 -0.33727E-05 540 0.303E-02 0.484E-03
DAV: 20 -0.902409166311E+02 -0.25793E-04 -0.28509E-06 496 0.118E-02 0.306E-03
DAV: 21 -0.902409362882E+02 -0.19657E-04 -0.43593E-06 395 0.111E-02 0.109E-03
DAV: 22 -0.902409415990E+02 -0.53108E-05 -0.87372E-07 469 0.491E-03
1 F= -.90240942E+02 E0= -.90245246E+02 d E =0.129122E-01