iterations/neb0_image02_iter198_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 0.363986577697E+03 0.36399E+03 -0.14334E+04 632 0.799E+02
DAV: 2 0.142569837147E+01 -0.36256E+03 -0.35082E+03 858 0.195E+02
DAV: 3 -0.955968162903E+02 -0.97023E+02 -0.96693E+02 640 0.115E+02
DAV: 4 -0.100260803187E+03 -0.46640E+01 -0.46531E+01 712 0.294E+01
DAV: 5 -0.100352759935E+03 -0.91957E-01 -0.91918E-01 744 0.370E+00 0.223E+01
DAV: 6 -0.916779729772E+02 0.86748E+01 -0.30947E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908556149189E+02 0.82236E+00 -0.18425E+00 728 0.636E+00 0.484E+00
DAV: 8 -0.904743155108E+02 0.38130E+00 -0.55074E-01 696 0.429E+00 0.170E+00
DAV: 9 -0.903875870791E+02 0.86728E-01 -0.13808E-01 712 0.168E+00 0.429E-01
DAV: 10 -0.903823365966E+02 0.52505E-02 -0.49916E-02 712 0.129E+00 0.330E-01
DAV: 11 -0.903859553831E+02 -0.36188E-02 -0.80892E-03 616 0.582E-01 0.124E-01
DAV: 12 -0.903890583794E+02 -0.31030E-02 -0.70968E-03 648 0.436E-01 0.137E-01
DAV: 13 -0.903914869759E+02 -0.24286E-02 -0.19322E-03 872 0.343E-01 0.811E-02
DAV: 14 -0.903947454149E+02 -0.32584E-02 -0.14687E-03 621 0.184E-01 0.712E-02
DAV: 15 -0.903965224655E+02 -0.17771E-02 -0.30664E-04 696 0.104E-01 0.554E-02
DAV: 16 -0.903980486155E+02 -0.15261E-02 -0.11431E-03 672 0.201E-01 0.412E-02
DAV: 17 -0.903987477559E+02 -0.69914E-03 -0.14673E-04 680 0.842E-02 0.309E-02
DAV: 18 -0.903990755439E+02 -0.32779E-03 -0.10225E-04 664 0.488E-02 0.127E-02
DAV: 19 -0.903992509546E+02 -0.17541E-03 -0.54631E-05 645 0.384E-02 0.759E-03
DAV: 20 -0.903992835108E+02 -0.32556E-04 -0.48445E-06 504 0.155E-02 0.700E-03
DAV: 21 -0.903993297785E+02 -0.46268E-04 -0.98201E-06 409 0.167E-02 0.443E-03
DAV: 22 -0.903993382231E+02 -0.84446E-05 -0.56141E-06 480 0.150E-02
1 F= -.90399338E+02 E0= -.90405601E+02 d E =0.187878E-01