./iterations/neb0_image06_iter50_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 0.375630520628E+03 0.37563E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.473740490552E+01 -0.37089E+03 -0.35767E+03 861 0.195E+02
DAV: 3 -0.955866914910E+02 -0.10032E+03 -0.99995E+02 672 0.117E+02
DAV: 4 -0.100010082262E+03 -0.44234E+01 -0.44125E+01 712 0.283E+01
DAV: 5 -0.100100118701E+03 -0.90036E-01 -0.90003E-01 736 0.358E+00 0.226E+01
DAV: 6 -0.914893211025E+02 0.86108E+01 -0.30671E+01 685 0.305E+01 0.117E+01
DAV: 7 -0.906511230158E+02 0.83820E+00 -0.17129E+00 728 0.624E+00 0.480E+00
DAV: 8 -0.902699672431E+02 0.38116E+00 -0.53064E-01 704 0.409E+00 0.165E+00
DAV: 9 -0.901797147215E+02 0.90253E-01 -0.12655E-01 720 0.161E+00 0.427E-01
DAV: 10 -0.901700352692E+02 0.96795E-02 -0.41797E-02 728 0.102E+00 0.314E-01
DAV: 11 -0.901753153450E+02 -0.52801E-02 -0.17294E-02 604 0.900E-01 0.218E-01
DAV: 12 -0.901756974440E+02 -0.38210E-03 -0.44247E-03 682 0.374E-01 0.156E-01
DAV: 13 -0.901797270672E+02 -0.40296E-02 -0.49913E-03 627 0.471E-01 0.104E-01
DAV: 14 -0.901821110190E+02 -0.23840E-02 -0.10161E-03 680 0.177E-01 0.886E-02
DAV: 15 -0.901844365766E+02 -0.23256E-02 -0.78449E-04 653 0.185E-01 0.431E-02
DAV: 16 -0.901868864110E+02 -0.24498E-02 -0.82568E-04 669 0.169E-01 0.352E-02
DAV: 17 -0.901875998832E+02 -0.71347E-03 -0.11689E-04 712 0.612E-02 0.281E-02
DAV: 18 -0.901881139650E+02 -0.51408E-03 -0.84922E-05 658 0.468E-02 0.999E-03
DAV: 19 -0.901883508925E+02 -0.23693E-03 -0.29614E-05 573 0.357E-02 0.832E-03
DAV: 20 -0.901884521094E+02 -0.10122E-03 -0.17243E-05 456 0.318E-02 0.882E-03
DAV: 21 -0.901884881234E+02 -0.36014E-04 -0.11505E-05 498 0.244E-02 0.652E-03
DAV: 22 -0.901885121380E+02 -0.24015E-04 -0.18377E-05 461 0.375E-02 0.488E-03
DAV: 23 -0.901885086535E+02 0.34845E-05 -0.16048E-05 463 0.377E-02
1 F= -.90188509E+02 E0= -.90197795E+02 d E =0.278585E-01