./iterations/neb0_image01_iter146_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 0.365290489260E+03 0.36529E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.318584696644E+01 -0.36210E+03 -0.34926E+03 836 0.195E+02
DAV: 3 -0.956563105698E+02 -0.98842E+02 -0.98494E+02 674 0.116E+02
DAV: 4 -0.100181183796E+03 -0.45249E+01 -0.45137E+01 712 0.283E+01
DAV: 5 -0.100270971301E+03 -0.89788E-01 -0.89742E-01 736 0.355E+00 0.222E+01
DAV: 6 -0.916683461614E+02 0.86026E+01 -0.31089E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908748107359E+02 0.79354E+00 -0.18282E+00 704 0.641E+00 0.484E+00
DAV: 8 -0.904992473591E+02 0.37556E+00 -0.55455E-01 704 0.428E+00 0.166E+00
DAV: 9 -0.904170729415E+02 0.82174E-01 -0.13338E-01 728 0.166E+00 0.422E-01
DAV: 10 -0.904123290427E+02 0.47439E-02 -0.46992E-02 712 0.124E+00 0.320E-01
DAV: 11 -0.904163686421E+02 -0.40396E-02 -0.75419E-03 608 0.551E-01 0.123E-01
DAV: 12 -0.904198413157E+02 -0.34727E-02 -0.66823E-03 632 0.457E-01 0.133E-01
DAV: 13 -0.904222272120E+02 -0.23859E-02 -0.16062E-03 856 0.311E-01 0.749E-02
DAV: 14 -0.904253661329E+02 -0.31389E-02 -0.14776E-03 639 0.193E-01 0.673E-02
DAV: 15 -0.904270594407E+02 -0.16933E-02 -0.32013E-04 680 0.112E-01 0.549E-02
DAV: 16 -0.904284001679E+02 -0.13407E-02 -0.10296E-03 653 0.198E-01 0.364E-02
DAV: 17 -0.904292130018E+02 -0.81283E-03 -0.13959E-04 669 0.801E-02 0.324E-02
DAV: 18 -0.904295392472E+02 -0.32625E-03 -0.86312E-05 661 0.466E-02 0.171E-02
DAV: 19 -0.904297056446E+02 -0.16640E-03 -0.85433E-05 647 0.509E-02 0.954E-03
DAV: 20 -0.904297332472E+02 -0.27603E-04 -0.69548E-06 520 0.182E-02 0.925E-03
DAV: 21 -0.904297730343E+02 -0.39787E-04 -0.76857E-06 398 0.153E-02 0.615E-03
DAV: 22 -0.904297816410E+02 -0.86067E-05 -0.52492E-06 480 0.157E-02
1 F= -.90429782E+02 E0= -.90435158E+02 d E =0.161305E-01