./iterations/neb0_image06_iter297_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 0.375765628901E+03 0.37577E+03 -0.14334E+04 632 0.799E+02
DAV: 2 0.481246999330E+01 -0.37095E+03 -0.35895E+03 874 0.195E+02
DAV: 3 -0.943665857702E+02 -0.99179E+02 -0.98783E+02 656 0.116E+02
DAV: 4 -0.989666252956E+02 -0.46000E+01 -0.45813E+01 720 0.290E+01
DAV: 5 -0.990599043703E+02 -0.93279E-01 -0.93224E-01 720 0.374E+00 0.222E+01
DAV: 6 -0.906938952583E+02 0.83660E+01 -0.29686E+01 701 0.303E+01 0.116E+01
DAV: 7 -0.898751246458E+02 0.81877E+00 -0.17277E+00 720 0.644E+00 0.481E+00
DAV: 8 -0.894794629146E+02 0.39566E+00 -0.57752E-01 720 0.423E+00 0.161E+00
DAV: 9 -0.893847772686E+02 0.94686E-01 -0.13072E-01 712 0.166E+00 0.444E-01
DAV: 10 -0.893737697452E+02 0.11008E-01 -0.34773E-02 712 0.939E-01 0.297E-01
DAV: 11 -0.893766778255E+02 -0.29081E-02 -0.11255E-02 608 0.600E-01 0.171E-01
DAV: 12 -0.893781915193E+02 -0.15137E-02 -0.33739E-03 744 0.399E-01 0.101E-01
DAV: 13 -0.893828508640E+02 -0.46593E-02 -0.37061E-03 631 0.316E-01 0.106E-01
DAV: 14 -0.893853184163E+02 -0.24676E-02 -0.11521E-03 808 0.250E-01 0.341E-02
DAV: 15 -0.893884939057E+02 -0.31755E-02 -0.62164E-04 628 0.128E-01 0.382E-02
DAV: 16 -0.893906252168E+02 -0.21313E-02 -0.18542E-04 696 0.733E-02 0.224E-02
DAV: 17 -0.893919414032E+02 -0.13162E-02 -0.29702E-04 655 0.896E-02 0.201E-02
DAV: 18 -0.893922401911E+02 -0.29879E-03 -0.26896E-05 584 0.369E-02 0.125E-02
DAV: 19 -0.893924094001E+02 -0.16921E-03 -0.48656E-05 629 0.371E-02 0.404E-03
DAV: 20 -0.893924571646E+02 -0.47764E-04 -0.35436E-06 488 0.105E-02 0.380E-03
DAV: 21 -0.893924881178E+02 -0.30953E-04 -0.32831E-06 413 0.831E-03 0.284E-03
DAV: 22 -0.893925014688E+02 -0.13351E-04 -0.28099E-06 456 0.100E-02 0.104E-03
DAV: 23 -0.893925040585E+02 -0.25896E-05 -0.89525E-07 480 0.521E-03
1 F= -.89392504E+02 E0= -.89399978E+02 d E =0.224226E-01