iterations/neb0_image06_iter10_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 0.360771627819E+03 0.36077E+03 -0.14173E+04 624 0.799E+02
DAV: 2 0.495867812145E+01 -0.35581E+03 -0.34274E+03 874 0.192E+02
DAV: 3 -0.921501954902E+02 -0.97109E+02 -0.96537E+02 680 0.114E+02
DAV: 4 -0.968767627079E+02 -0.47266E+01 -0.47055E+01 704 0.281E+01
DAV: 5 -0.969825184661E+02 -0.10576E+00 -0.10569E+00 736 0.369E+00 0.215E+01
DAV: 6 -0.884767622715E+02 0.85058E+01 -0.32669E+01 712 0.316E+01 0.113E+01
DAV: 7 -0.877725935749E+02 0.70417E+00 -0.18388E+00 720 0.765E+00 0.491E+00
DAV: 8 -0.874011476178E+02 0.37145E+00 -0.64457E-01 720 0.451E+00 0.178E+00
DAV: 9 -0.873140492891E+02 0.87098E-01 -0.15792E-01 725 0.198E+00 0.563E-01
DAV: 10 -0.873030569713E+02 0.10992E-01 -0.24066E-02 792 0.952E-01 0.280E-01
DAV: 11 -0.873023773058E+02 0.67967E-03 -0.75486E-03 640 0.533E-01 0.182E-01
DAV: 12 -0.873055308571E+02 -0.31536E-02 -0.58340E-03 668 0.441E-01 0.117E-01
DAV: 13 -0.873095425089E+02 -0.40117E-02 -0.18419E-03 692 0.296E-01 0.743E-02
DAV: 14 -0.873125356630E+02 -0.29932E-02 -0.10544E-03 650 0.164E-01 0.485E-02
DAV: 15 -0.873147904644E+02 -0.22548E-02 -0.70241E-04 720 0.177E-01 0.458E-02
DAV: 16 -0.873162410542E+02 -0.14506E-02 -0.34709E-04 711 0.116E-01 0.260E-02
DAV: 17 -0.873169075590E+02 -0.66650E-03 -0.12499E-04 696 0.758E-02 0.139E-02
DAV: 18 -0.873176569694E+02 -0.74941E-03 -0.13281E-04 650 0.550E-02 0.144E-02
DAV: 19 -0.873178123944E+02 -0.15543E-03 -0.13192E-05 509 0.321E-02 0.749E-03
DAV: 20 -0.873180073114E+02 -0.19492E-03 -0.72892E-05 626 0.451E-02 0.119E-02
DAV: 21 -0.873180260922E+02 -0.18781E-04 -0.12719E-05 512 0.345E-02 0.385E-03
DAV: 22 -0.873180395669E+02 -0.13475E-04 -0.10161E-05 428 0.160E-02 0.197E-03
DAV: 23 -0.873180593572E+02 -0.19790E-04 -0.30594E-06 412 0.723E-03 0.197E-03
DAV: 24 -0.873180627823E+02 -0.34251E-05 -0.63861E-07 496 0.757E-03
1 F= -.87318063E+02 E0= -.87323569E+02 d E =0.165177E-01