./iterations/neb0_image01_iter17_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 0.364931240237E+03 0.36493E+03 -0.14289E+04 624 0.799E+02
DAV: 2 0.250619527653E+01 -0.36243E+03 -0.35045E+03 847 0.195E+02
DAV: 3 -0.957652306422E+02 -0.98271E+02 -0.97945E+02 685 0.116E+02
DAV: 4 -0.100090304420E+03 -0.43251E+01 -0.43152E+01 696 0.276E+01
DAV: 5 -0.100176027278E+03 -0.85723E-01 -0.85677E-01 736 0.345E+00 0.221E+01
DAV: 6 -0.915637616996E+02 0.86123E+01 -0.31260E+01 696 0.299E+01 0.116E+01
DAV: 7 -0.907649660636E+02 0.79880E+00 -0.18132E+00 712 0.635E+00 0.482E+00
DAV: 8 -0.903858280399E+02 0.37914E+00 -0.56112E-01 720 0.431E+00 0.169E+00
DAV: 9 -0.903004075588E+02 0.85420E-01 -0.13813E-01 728 0.165E+00 0.432E-01
DAV: 10 -0.902947198198E+02 0.56877E-02 -0.43028E-02 720 0.124E+00 0.309E-01
DAV: 11 -0.902984961813E+02 -0.37764E-02 -0.62515E-03 616 0.457E-01 0.152E-01
DAV: 12 -0.903019233017E+02 -0.34271E-02 -0.67923E-03 624 0.492E-01 0.124E-01
DAV: 13 -0.903046587177E+02 -0.27354E-02 -0.12446E-03 808 0.297E-01 0.749E-02
DAV: 14 -0.903075739025E+02 -0.29152E-02 -0.14787E-03 634 0.183E-01 0.540E-02
DAV: 15 -0.903097063077E+02 -0.21324E-02 -0.30307E-04 680 0.110E-01 0.390E-02
DAV: 16 -0.903110258524E+02 -0.13195E-02 -0.54722E-04 669 0.136E-01 0.319E-02
DAV: 17 -0.903118644681E+02 -0.83862E-03 -0.17225E-04 829 0.946E-02 0.179E-02
DAV: 18 -0.903120623458E+02 -0.19788E-03 -0.34504E-05 632 0.338E-02 0.114E-02
DAV: 19 -0.903122748778E+02 -0.21253E-03 -0.49904E-05 623 0.355E-02 0.560E-03
DAV: 20 -0.903122887431E+02 -0.13865E-04 -0.62791E-06 504 0.153E-02 0.702E-03
DAV: 21 -0.903123241589E+02 -0.35416E-04 -0.48325E-06 404 0.132E-02 0.446E-03
DAV: 22 -0.903123437138E+02 -0.19555E-04 -0.52304E-06 474 0.142E-02 0.228E-03
DAV: 23 -0.903123464339E+02 -0.27201E-05 -0.26137E-06 520 0.944E-03
1 F= -.90312346E+02 E0= -.90317490E+02 d E =0.154317E-01