./iterations/neb0_image08_iter37_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 0.376628294746E+03 0.37663E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.375308864805E+01 -0.37288E+03 -0.35901E+03 869 0.196E+02
DAV: 3 -0.965737282335E+02 -0.10033E+03 -0.99999E+02 672 0.117E+02
DAV: 4 -0.101056379280E+03 -0.44827E+01 -0.44721E+01 704 0.284E+01
DAV: 5 -0.101143905749E+03 -0.87526E-01 -0.87490E-01 736 0.358E+00 0.228E+01
DAV: 6 -0.924892539104E+02 0.86547E+01 -0.30691E+01 682 0.303E+01 0.119E+01
DAV: 7 -0.916211207386E+02 0.86813E+00 -0.17052E+00 728 0.618E+00 0.480E+00
DAV: 8 -0.912450762206E+02 0.37604E+00 -0.54785E-01 704 0.400E+00 0.165E+00
DAV: 9 -0.911607693264E+02 0.84307E-01 -0.13131E-01 704 0.158E+00 0.427E-01
DAV: 10 -0.911512963502E+02 0.94730E-02 -0.43179E-02 749 0.108E+00 0.299E-01
DAV: 11 -0.911558118135E+02 -0.45155E-02 -0.12410E-02 608 0.589E-01 0.149E-01
DAV: 12 -0.911584054033E+02 -0.25936E-02 -0.22804E-03 625 0.240E-01 0.102E-01
DAV: 13 -0.911625786935E+02 -0.41733E-02 -0.19747E-03 653 0.228E-01 0.512E-02
DAV: 14 -0.911650507866E+02 -0.24721E-02 -0.43463E-04 696 0.154E-01 0.303E-02
DAV: 15 -0.911676637623E+02 -0.26130E-02 -0.43987E-04 631 0.973E-02 0.329E-02
DAV: 16 -0.911685099705E+02 -0.84621E-03 -0.10492E-04 688 0.653E-02 0.109E-02
DAV: 17 -0.911693479650E+02 -0.83799E-03 -0.13776E-04 628 0.573E-02 0.163E-02
DAV: 18 -0.911695350580E+02 -0.18709E-03 -0.22900E-05 608 0.380E-02 0.959E-03
DAV: 19 -0.911696191439E+02 -0.84086E-04 -0.21944E-05 490 0.265E-02 0.607E-03
DAV: 20 -0.911696621170E+02 -0.42973E-04 -0.74336E-06 464 0.143E-02 0.365E-03
DAV: 21 -0.911696791945E+02 -0.17078E-04 -0.24342E-06 453 0.937E-03 0.236E-03
DAV: 22 -0.911696932521E+02 -0.14058E-04 -0.24249E-06 414 0.798E-03 0.105E-03
DAV: 23 -0.911696966962E+02 -0.34441E-05 -0.86551E-07 453 0.407E-03
1 F= -.91169697E+02 E0= -.91174642E+02 d E =0.148355E-01