./iterations/neb0_image06_iter203_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 0.370990269793E+03 0.37099E+03 -0.14348E+04 640 0.799E+02
DAV: 2 0.442275659845E+01 -0.36657E+03 -0.35454E+03 858 0.193E+02
DAV: 3 -0.956991140231E+02 -0.10012E+03 -0.99791E+02 672 0.116E+02
DAV: 4 -0.100424970960E+03 -0.47259E+01 -0.47121E+01 720 0.288E+01
DAV: 5 -0.100521574738E+03 -0.96604E-01 -0.96542E-01 736 0.367E+00 0.226E+01
DAV: 6 -0.919411090204E+02 0.85805E+01 -0.30640E+01 701 0.302E+01 0.118E+01
DAV: 7 -0.911169994636E+02 0.82411E+00 -0.17576E+00 704 0.627E+00 0.480E+00
DAV: 8 -0.907414644398E+02 0.37554E+00 -0.54001E-01 704 0.409E+00 0.167E+00
DAV: 9 -0.906505917475E+02 0.90873E-01 -0.12946E-01 704 0.157E+00 0.422E-01
DAV: 10 -0.906403734075E+02 0.10218E-01 -0.37964E-02 744 0.966E-01 0.286E-01
DAV: 11 -0.906446706374E+02 -0.42972E-02 -0.96814E-03 599 0.505E-01 0.146E-01
DAV: 12 -0.906473957737E+02 -0.27251E-02 -0.21598E-03 634 0.251E-01 0.850E-02
DAV: 13 -0.906515061323E+02 -0.41104E-02 -0.15618E-03 642 0.185E-01 0.614E-02
DAV: 14 -0.906547149286E+02 -0.32088E-02 -0.91666E-04 736 0.219E-01 0.371E-02
DAV: 15 -0.906566543808E+02 -0.19395E-02 -0.31122E-04 626 0.942E-02 0.395E-02
DAV: 16 -0.906579218174E+02 -0.12674E-02 -0.30900E-04 717 0.108E-01 0.174E-02
DAV: 17 -0.906586405650E+02 -0.71875E-03 -0.11864E-04 653 0.566E-02 0.139E-02
DAV: 18 -0.906589001396E+02 -0.25957E-03 -0.22514E-05 528 0.216E-02 0.854E-03
DAV: 19 -0.906590323849E+02 -0.13225E-03 -0.20903E-05 497 0.223E-02 0.231E-03
DAV: 20 -0.906590574549E+02 -0.25070E-04 -0.38866E-06 504 0.102E-02 0.178E-03
DAV: 21 -0.906590819484E+02 -0.24494E-04 -0.36024E-06 395 0.686E-03 0.192E-03
DAV: 22 -0.906590837293E+02 -0.17809E-05 -0.49621E-07 512 0.343E-03
1 F= -.90659084E+02 E0= -.90663897E+02 d E =0.144394E-01