iterations/neb0_image08_iter196_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 0.374034094770E+03 0.37403E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.353310805037E+01 -0.37050E+03 -0.35816E+03 869 0.196E+02
DAV: 3 -0.966213759299E+02 -0.10015E+03 -0.99851E+02 661 0.117E+02
DAV: 4 -0.101262140891E+03 -0.46408E+01 -0.46286E+01 728 0.291E+01
DAV: 5 -0.101353127571E+03 -0.90987E-01 -0.90931E-01 712 0.369E+00 0.227E+01
DAV: 6 -0.926546510184E+02 0.86985E+01 -0.31014E+01 712 0.302E+01 0.119E+01
DAV: 7 -0.917891710844E+02 0.86548E+00 -0.17369E+00 720 0.616E+00 0.479E+00
DAV: 8 -0.914147907722E+02 0.37438E+00 -0.53667E-01 720 0.392E+00 0.163E+00
DAV: 9 -0.913336486138E+02 0.81142E-01 -0.13297E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913256215507E+02 0.80271E-02 -0.44759E-02 752 0.109E+00 0.302E-01
DAV: 11 -0.913304506652E+02 -0.48291E-02 -0.13797E-02 605 0.612E-01 0.150E-01
DAV: 12 -0.913332913383E+02 -0.28407E-02 -0.27454E-03 636 0.238E-01 0.106E-01
DAV: 13 -0.913368628496E+02 -0.35715E-02 -0.19989E-03 639 0.231E-01 0.475E-02
DAV: 14 -0.913402499144E+02 -0.33871E-02 -0.85554E-04 669 0.187E-01 0.333E-02
DAV: 15 -0.913413773680E+02 -0.11275E-02 -0.20986E-04 680 0.864E-02 0.276E-02
DAV: 16 -0.913422764165E+02 -0.89905E-03 -0.17338E-04 669 0.804E-02 0.108E-02
DAV: 17 -0.913430226548E+02 -0.74624E-03 -0.73213E-05 645 0.373E-02 0.140E-02
DAV: 18 -0.913432548602E+02 -0.23221E-03 -0.27086E-05 592 0.291E-02 0.754E-03
DAV: 19 -0.913433618023E+02 -0.10694E-03 -0.29392E-05 552 0.288E-02 0.669E-03
DAV: 20 -0.913433776512E+02 -0.15849E-04 -0.28940E-06 512 0.144E-02 0.384E-03
DAV: 21 -0.913433898735E+02 -0.12222E-04 -0.55219E-06 407 0.134E-02 0.175E-03
DAV: 22 -0.913433960548E+02 -0.61812E-05 -0.10718E-06 464 0.533E-03
1 F= -.91343396E+02 E0= -.91348274E+02 d E =0.146324E-01