./iterations/neb0_image05_iter252_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 0.366820471567E+03 0.36682E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.373898817677E+01 -0.36308E+03 -0.34902E+03 850 0.195E+02
DAV: 3 -0.956364784059E+02 -0.99375E+02 -0.99037E+02 680 0.116E+02
DAV: 4 -0.100105328352E+03 -0.44688E+01 -0.44584E+01 704 0.284E+01
DAV: 5 -0.100190785964E+03 -0.85458E-01 -0.85415E-01 736 0.354E+00 0.221E+01
DAV: 6 -0.916002480362E+02 0.85905E+01 -0.31171E+01 696 0.300E+01 0.116E+01
DAV: 7 -0.907893873167E+02 0.81086E+00 -0.17477E+00 720 0.623E+00 0.482E+00
DAV: 8 -0.904136915999E+02 0.37570E+00 -0.53971E-01 736 0.424E+00 0.167E+00
DAV: 9 -0.903265844180E+02 0.87107E-01 -0.12744E-01 720 0.167E+00 0.431E-01
DAV: 10 -0.903180450086E+02 0.85394E-02 -0.40918E-02 720 0.113E+00 0.323E-01
DAV: 11 -0.903207530004E+02 -0.27080E-02 -0.91282E-03 624 0.815E-01 0.158E-01
DAV: 12 -0.903218759137E+02 -0.11229E-02 -0.43925E-03 664 0.356E-01 0.130E-01
DAV: 13 -0.903246612552E+02 -0.27853E-02 -0.26402E-03 679 0.324E-01 0.848E-02
DAV: 14 -0.903282106760E+02 -0.35494E-02 -0.68789E-04 671 0.149E-01 0.659E-02
DAV: 15 -0.903313288672E+02 -0.31182E-02 -0.76366E-04 636 0.128E-01 0.327E-02
DAV: 16 -0.903332308323E+02 -0.19020E-02 -0.28914E-04 696 0.880E-02 0.264E-02
DAV: 17 -0.903344329481E+02 -0.12021E-02 -0.19643E-04 866 0.102E-01 0.193E-02
DAV: 18 -0.903347158199E+02 -0.28287E-03 -0.94454E-05 696 0.580E-02 0.242E-02
DAV: 19 -0.903348784390E+02 -0.16262E-03 -0.52526E-05 645 0.558E-02 0.630E-03
DAV: 20 -0.903349934123E+02 -0.11497E-03 -0.22387E-05 482 0.272E-02 0.459E-03
DAV: 21 -0.903350932712E+02 -0.99859E-04 -0.20300E-05 475 0.211E-02 0.708E-03
DAV: 22 -0.903351048057E+02 -0.11535E-04 -0.20807E-06 488 0.160E-02 0.313E-03
DAV: 23 -0.903351070917E+02 -0.22860E-05 -0.41136E-06 520 0.107E-02
1 F= -.90335107E+02 E0= -.90343608E+02 d E =0.255028E-01