./iterations/neb0_image04_iter88_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 0.370524134182E+03 0.37052E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.438820998460E+01 -0.36614E+03 -0.35334E+03 850 0.195E+02
DAV: 3 -0.955106965645E+02 -0.99899E+02 -0.99584E+02 693 0.116E+02
DAV: 4 -0.998106210372E+02 -0.42999E+01 -0.42898E+01 704 0.274E+01
DAV: 5 -0.998931036423E+02 -0.82483E-01 -0.82447E-01 728 0.342E+00 0.222E+01
DAV: 6 -0.914038898410E+02 0.84892E+01 -0.29949E+01 682 0.295E+01 0.116E+01
DAV: 7 -0.905525056056E+02 0.85138E+00 -0.17481E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.901541105365E+02 0.39840E+00 -0.56070E-01 720 0.424E+00 0.164E+00
DAV: 9 -0.900593475901E+02 0.94763E-01 -0.13384E-01 712 0.174E+00 0.437E-01
DAV: 10 -0.900499649156E+02 0.93827E-02 -0.57047E-02 712 0.134E+00 0.349E-01
DAV: 11 -0.900542255278E+02 -0.42606E-02 -0.13991E-02 621 0.699E-01 0.141E-01
DAV: 12 -0.900561184478E+02 -0.18929E-02 -0.45414E-03 650 0.305E-01 0.137E-01
DAV: 13 -0.900597781548E+02 -0.36597E-02 -0.25098E-03 842 0.378E-01 0.755E-02
DAV: 14 -0.900632571238E+02 -0.34790E-02 -0.12134E-03 653 0.164E-01 0.642E-02
DAV: 15 -0.900657131865E+02 -0.24561E-02 -0.39973E-04 733 0.125E-01 0.362E-02
DAV: 16 -0.900672323051E+02 -0.15191E-02 -0.49258E-04 680 0.118E-01 0.306E-02
DAV: 17 -0.900682297693E+02 -0.99746E-03 -0.16967E-04 759 0.807E-02 0.158E-02
DAV: 18 -0.900685226930E+02 -0.29292E-03 -0.47357E-05 640 0.326E-02 0.824E-03
DAV: 19 -0.900686829405E+02 -0.16025E-03 -0.24592E-05 500 0.224E-02 0.459E-03
DAV: 20 -0.900687084641E+02 -0.25524E-04 -0.22520E-06 512 0.770E-03 0.373E-03
DAV: 21 -0.900687485809E+02 -0.40117E-04 -0.69224E-06 395 0.119E-02 0.114E-03
DAV: 22 -0.900687517573E+02 -0.31764E-05 -0.12832E-06 504 0.548E-03
1 F= -.90068752E+02 E0= -.90072949E+02 d E =0.125930E-01