iterations/neb0_image01_iter71_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 0.366519746698E+03 0.36652E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.342064303977E+01 -0.36310E+03 -0.34969E+03 839 0.195E+02
DAV: 3 -0.957738136270E+02 -0.99194E+02 -0.98854E+02 688 0.116E+02
DAV: 4 -0.100191110471E+03 -0.44173E+01 -0.44080E+01 693 0.278E+01
DAV: 5 -0.100278473938E+03 -0.87363E-01 -0.87313E-01 744 0.349E+00 0.222E+01
DAV: 6 -0.916749850873E+02 0.86035E+01 -0.31173E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908644205923E+02 0.81056E+00 -0.18143E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904832337772E+02 0.38119E+00 -0.55695E-01 712 0.426E+00 0.168E+00
DAV: 9 -0.903982205202E+02 0.85013E-01 -0.13702E-01 696 0.164E+00 0.429E-01
DAV: 10 -0.903926010849E+02 0.56194E-02 -0.45923E-02 728 0.127E+00 0.317E-01
DAV: 11 -0.903963208036E+02 -0.37197E-02 -0.66743E-03 616 0.471E-01 0.150E-01
DAV: 12 -0.903998463060E+02 -0.35255E-02 -0.71937E-03 616 0.494E-01 0.127E-01
DAV: 13 -0.904026910232E+02 -0.28447E-02 -0.13018E-03 808 0.303E-01 0.785E-02
DAV: 14 -0.904055519765E+02 -0.28610E-02 -0.15635E-03 639 0.190E-01 0.601E-02
DAV: 15 -0.904078030976E+02 -0.22511E-02 -0.44365E-04 704 0.134E-01 0.446E-02
DAV: 16 -0.904089864619E+02 -0.11834E-02 -0.63140E-04 661 0.143E-01 0.342E-02
DAV: 17 -0.904098766885E+02 -0.89023E-03 -0.19057E-04 839 0.947E-02 0.191E-02
DAV: 18 -0.904100430887E+02 -0.16640E-03 -0.37418E-05 704 0.307E-02 0.141E-02
DAV: 19 -0.904103031797E+02 -0.26009E-03 -0.55387E-05 633 0.384E-02 0.410E-03
DAV: 20 -0.904103398151E+02 -0.36635E-04 -0.45246E-06 488 0.119E-02 0.478E-03
DAV: 21 -0.904103837482E+02 -0.43933E-04 -0.47639E-06 414 0.114E-02 0.277E-03
DAV: 22 -0.904104008195E+02 -0.17071E-04 -0.40478E-06 477 0.938E-03 0.178E-03
DAV: 23 -0.904104034594E+02 -0.26399E-05 -0.92270E-07 520 0.537E-03
1 F= -.90410403E+02 E0= -.90415592E+02 d E =0.155658E-01