iterations/neb0_image02_iter214_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 0.366769520569E+03 0.36677E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.138783435373E+01 -0.36538E+03 -0.35444E+03 869 0.196E+02
DAV: 3 -0.957343897932E+02 -0.97122E+02 -0.96790E+02 648 0.116E+02
DAV: 4 -0.100246914877E+03 -0.45125E+01 -0.45019E+01 704 0.289E+01
DAV: 5 -0.100335446375E+03 -0.88531E-01 -0.88493E-01 736 0.364E+00 0.222E+01
DAV: 6 -0.916775867978E+02 0.86579E+01 -0.30955E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908560381128E+02 0.82155E+00 -0.18338E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904748973202E+02 0.38114E+00 -0.55434E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903890839974E+02 0.85813E-01 -0.13622E-01 720 0.168E+00 0.428E-01
DAV: 10 -0.903840127178E+02 0.50713E-02 -0.48832E-02 704 0.125E+00 0.330E-01
DAV: 11 -0.903877801409E+02 -0.37674E-02 -0.81261E-03 624 0.616E-01 0.117E-01
DAV: 12 -0.903905867845E+02 -0.28066E-02 -0.61600E-03 640 0.387E-01 0.131E-01
DAV: 13 -0.903933514925E+02 -0.27647E-02 -0.18211E-03 856 0.328E-01 0.829E-02
DAV: 14 -0.903965237678E+02 -0.31723E-02 -0.12680E-03 629 0.162E-01 0.680E-02
DAV: 15 -0.903984178381E+02 -0.18941E-02 -0.33969E-04 712 0.110E-01 0.471E-02
DAV: 16 -0.903998624928E+02 -0.14447E-02 -0.88889E-04 680 0.170E-01 0.390E-02
DAV: 17 -0.904005001956E+02 -0.63770E-03 -0.16655E-04 856 0.870E-02 0.210E-02
DAV: 18 -0.904007118249E+02 -0.21163E-03 -0.46340E-05 688 0.342E-02 0.836E-03
DAV: 19 -0.904009325524E+02 -0.22073E-03 -0.34436E-05 577 0.276E-02 0.482E-03
DAV: 20 -0.904009648929E+02 -0.32341E-04 -0.26520E-06 504 0.110E-02 0.402E-03
DAV: 21 -0.904010220819E+02 -0.57189E-04 -0.11059E-05 406 0.165E-02 0.302E-03
DAV: 22 -0.904010272106E+02 -0.51288E-05 -0.22563E-06 496 0.863E-03
1 F= -.90401027E+02 E0= -.90408079E+02 d E =0.211543E-01