./iterations/neb0_image04_iter73_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 0.371021207676E+03 0.37102E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.456482099530E+01 -0.36646E+03 -0.35368E+03 850 0.195E+02
DAV: 3 -0.953456198423E+02 -0.99910E+02 -0.99600E+02 682 0.117E+02
DAV: 4 -0.997528907524E+02 -0.44073E+01 -0.43955E+01 712 0.278E+01
DAV: 5 -0.998382757805E+02 -0.85385E-01 -0.85345E-01 728 0.349E+00 0.222E+01
DAV: 6 -0.913548846116E+02 0.84834E+01 -0.30024E+01 671 0.294E+01 0.116E+01
DAV: 7 -0.905022639714E+02 0.85262E+00 -0.17256E+00 720 0.628E+00 0.479E+00
DAV: 8 -0.901032428228E+02 0.39902E+00 -0.56107E-01 712 0.428E+00 0.165E+00
DAV: 9 -0.900095006569E+02 0.93742E-01 -0.13563E-01 712 0.170E+00 0.434E-01
DAV: 10 -0.900003081266E+02 0.91925E-02 -0.55302E-02 733 0.131E+00 0.343E-01
DAV: 11 -0.900043457599E+02 -0.40376E-02 -0.12029E-02 629 0.616E-01 0.131E-01
DAV: 12 -0.900068592436E+02 -0.25135E-02 -0.39815E-03 633 0.281E-01 0.124E-01
DAV: 13 -0.900107187346E+02 -0.38595E-02 -0.15974E-03 845 0.316E-01 0.659E-02
DAV: 14 -0.900138466736E+02 -0.31279E-02 -0.10021E-03 650 0.148E-01 0.518E-02
DAV: 15 -0.900164995041E+02 -0.26528E-02 -0.38852E-04 709 0.109E-01 0.342E-02
DAV: 16 -0.900177881553E+02 -0.12887E-02 -0.38649E-04 688 0.102E-01 0.289E-02
DAV: 17 -0.900186271866E+02 -0.83903E-03 -0.18980E-04 844 0.877E-02 0.129E-02
DAV: 18 -0.900188578566E+02 -0.23067E-03 -0.31968E-05 616 0.341E-02 0.648E-03
DAV: 19 -0.900190124911E+02 -0.15463E-03 -0.28106E-05 502 0.222E-02 0.424E-03
DAV: 20 -0.900190248528E+02 -0.12362E-04 -0.15039E-06 528 0.824E-03 0.331E-03
DAV: 21 -0.900190603967E+02 -0.35544E-04 -0.66015E-06 395 0.141E-02 0.257E-03
DAV: 22 -0.900190624284E+02 -0.20317E-05 -0.10054E-06 512 0.615E-03
1 F= -.90019062E+02 E0= -.90023412E+02 d E =0.130499E-01