./iterations/neb0_image06_iter57_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 0.374882350820E+03 0.37488E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.469810120323E+01 -0.37018E+03 -0.35696E+03 861 0.195E+02
DAV: 3 -0.954577992128E+02 -0.10016E+03 -0.99826E+02 664 0.117E+02
DAV: 4 -0.100000135517E+03 -0.45423E+01 -0.45314E+01 696 0.287E+01
DAV: 5 -0.100094419184E+03 -0.94284E-01 -0.94245E-01 728 0.367E+00 0.225E+01
DAV: 6 -0.915192206973E+02 0.85752E+01 -0.30729E+01 677 0.305E+01 0.117E+01
DAV: 7 -0.906869559906E+02 0.83226E+00 -0.16857E+00 728 0.623E+00 0.480E+00
DAV: 8 -0.903034502058E+02 0.38351E+00 -0.53321E-01 696 0.406E+00 0.163E+00
DAV: 9 -0.902131676932E+02 0.90283E-01 -0.12864E-01 720 0.163E+00 0.428E-01
DAV: 10 -0.902031923271E+02 0.99754E-02 -0.43095E-02 725 0.106E+00 0.311E-01
DAV: 11 -0.902078008001E+02 -0.46085E-02 -0.14815E-02 610 0.781E-01 0.183E-01
DAV: 12 -0.902087623112E+02 -0.96151E-03 -0.35173E-03 684 0.330E-01 0.134E-01
DAV: 13 -0.902133165529E+02 -0.45542E-02 -0.45938E-03 627 0.465E-01 0.951E-02
DAV: 14 -0.902151753771E+02 -0.18588E-02 -0.78716E-04 704 0.182E-01 0.754E-02
DAV: 15 -0.902175975561E+02 -0.24222E-02 -0.92445E-04 637 0.183E-01 0.304E-02
DAV: 16 -0.902199315341E+02 -0.23340E-02 -0.35546E-04 666 0.954E-02 0.268E-02
DAV: 17 -0.902207517445E+02 -0.82021E-03 -0.65643E-05 696 0.479E-02 0.196E-02
DAV: 18 -0.902214368101E+02 -0.68507E-03 -0.17145E-04 671 0.775E-02 0.132E-02
DAV: 19 -0.902215325461E+02 -0.95736E-04 -0.21100E-05 616 0.350E-02 0.919E-03
DAV: 20 -0.902216262855E+02 -0.93739E-04 -0.15376E-05 425 0.202E-02 0.446E-03
DAV: 21 -0.902216986147E+02 -0.72329E-04 -0.99920E-06 423 0.137E-02 0.298E-03
DAV: 22 -0.902217105151E+02 -0.11900E-04 -0.29276E-06 528 0.113E-02 0.212E-03
DAV: 23 -0.902217185560E+02 -0.80409E-05 -0.20578E-06 398 0.888E-03
1 F= -.90221719E+02 E0= -.90228261E+02 d E =0.196285E-01