./iterations/neb0_image05_iter184_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 0.369653943046E+03 0.36965E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.334459949602E+01 -0.36631E+03 -0.35367E+03 861 0.195E+02
DAV: 3 -0.953873744560E+02 -0.98732E+02 -0.98403E+02 661 0.116E+02
DAV: 4 -0.100030751643E+03 -0.46434E+01 -0.46321E+01 704 0.289E+01
DAV: 5 -0.100125018554E+03 -0.94267E-01 -0.94216E-01 728 0.365E+00 0.222E+01
DAV: 6 -0.915792421787E+02 0.85458E+01 -0.30762E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.907863269032E+02 0.79292E+00 -0.18834E+00 736 0.641E+00 0.483E+00
DAV: 8 -0.904104430450E+02 0.37588E+00 -0.53808E-01 728 0.427E+00 0.169E+00
DAV: 9 -0.903203925021E+02 0.90051E-01 -0.13730E-01 720 0.168E+00 0.429E-01
DAV: 10 -0.903123176987E+02 0.80748E-02 -0.46971E-02 736 0.122E+00 0.319E-01
DAV: 11 -0.903161455744E+02 -0.38279E-02 -0.76368E-03 624 0.543E-01 0.127E-01
DAV: 12 -0.903186589743E+02 -0.25134E-02 -0.55934E-03 610 0.414E-01 0.121E-01
DAV: 13 -0.903212574899E+02 -0.25985E-02 -0.13869E-03 880 0.284E-01 0.731E-02
DAV: 14 -0.903247778521E+02 -0.35204E-02 -0.12177E-03 652 0.151E-01 0.492E-02
DAV: 15 -0.903272468760E+02 -0.24690E-02 -0.33800E-04 704 0.992E-02 0.365E-02
DAV: 16 -0.903288394962E+02 -0.15926E-02 -0.46390E-04 677 0.117E-01 0.270E-02
DAV: 17 -0.903295787193E+02 -0.73922E-03 -0.10242E-04 680 0.657E-02 0.240E-02
DAV: 18 -0.903297814323E+02 -0.20271E-03 -0.90715E-05 688 0.534E-02 0.127E-02
DAV: 19 -0.903299324842E+02 -0.15105E-03 -0.23812E-05 509 0.335E-02 0.436E-03
DAV: 20 -0.903300185302E+02 -0.86046E-04 -0.11385E-05 453 0.158E-02 0.345E-03
DAV: 21 -0.903300488696E+02 -0.30339E-04 -0.45692E-06 464 0.937E-03 0.231E-03
DAV: 22 -0.903300599000E+02 -0.11030E-04 -0.20504E-06 445 0.741E-03 0.118E-03
DAV: 23 -0.903300616025E+02 -0.17025E-05 -0.74657E-07 480 0.437E-03
1 F= -.90330062E+02 E0= -.90337759E+02 d E =0.230931E-01