./iterations/neb0_image05_iter17_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 0.357990425161E+03 0.35799E+03 -0.14222E+04 632 0.799E+02
DAV: 2 0.486477383672E+01 -0.35313E+03 -0.34128E+03 858 0.192E+02
DAV: 3 -0.914955583167E+02 -0.96360E+02 -0.95816E+02 653 0.114E+02
DAV: 4 -0.964328716893E+02 -0.49373E+01 -0.49176E+01 728 0.293E+01
DAV: 5 -0.965419781705E+02 -0.10911E+00 -0.10905E+00 712 0.386E+00 0.209E+01
DAV: 6 -0.884981113310E+02 0.80439E+01 -0.30631E+01 709 0.298E+01 0.108E+01
DAV: 7 -0.878117374302E+02 0.68637E+00 -0.15527E+00 720 0.705E+00 0.468E+00
DAV: 8 -0.874789562765E+02 0.33278E+00 -0.66303E-01 712 0.443E+00 0.169E+00
DAV: 9 -0.874038751782E+02 0.75081E-01 -0.14687E-01 712 0.195E+00 0.509E-01
DAV: 10 -0.873963488143E+02 0.75264E-02 -0.17862E-02 744 0.836E-01 0.287E-01
DAV: 11 -0.873976025906E+02 -0.12538E-02 -0.16225E-02 613 0.764E-01 0.182E-01
DAV: 12 -0.873993906985E+02 -0.17881E-02 -0.31095E-03 752 0.415E-01 0.103E-01
DAV: 13 -0.874038362647E+02 -0.44456E-02 -0.38163E-03 627 0.332E-01 0.107E-01
DAV: 14 -0.874064906380E+02 -0.26544E-02 -0.14367E-03 808 0.234E-01 0.506E-02
DAV: 15 -0.874087965806E+02 -0.23059E-02 -0.10543E-03 722 0.208E-01 0.577E-02
DAV: 16 -0.874099455629E+02 -0.11490E-02 -0.30872E-04 885 0.131E-01 0.346E-02
DAV: 17 -0.874103613236E+02 -0.41576E-03 -0.20741E-04 680 0.860E-02 0.169E-02
DAV: 18 -0.874109585417E+02 -0.59722E-03 -0.62910E-05 644 0.474E-02 0.834E-03
DAV: 19 -0.874113553940E+02 -0.39685E-03 -0.46568E-05 589 0.320E-02 0.805E-03
DAV: 20 -0.874114776322E+02 -0.12224E-03 -0.92675E-06 485 0.188E-02 0.300E-03
DAV: 21 -0.874115429335E+02 -0.65301E-04 -0.15709E-05 468 0.190E-02 0.437E-03
DAV: 22 -0.874115552092E+02 -0.12276E-04 -0.19772E-06 493 0.101E-02 0.233E-03
DAV: 23 -0.874115610696E+02 -0.58604E-05 -0.17357E-06 417 0.700E-03
1 F= -.87411561E+02 E0= -.87415444E+02 d E =0.116479E-01