./iterations/neb0_image08_iter208_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 0.373342358034E+03 0.37334E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.349205119772E+01 -0.36985E+03 -0.35746E+03 869 0.196E+02
DAV: 3 -0.966353376552E+02 -0.10013E+03 -0.99818E+02 661 0.116E+02
DAV: 4 -0.101233783035E+03 -0.45984E+01 -0.45849E+01 720 0.288E+01
DAV: 5 -0.101323973882E+03 -0.90191E-01 -0.90134E-01 720 0.366E+00 0.227E+01
DAV: 6 -0.926491653377E+02 0.86748E+01 -0.31053E+01 709 0.301E+01 0.118E+01
DAV: 7 -0.917900790790E+02 0.85909E+00 -0.17293E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914156755543E+02 0.37440E+00 -0.53775E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913352381708E+02 0.80437E-01 -0.13227E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913273760039E+02 0.78622E-02 -0.45516E-02 752 0.109E+00 0.304E-01
DAV: 11 -0.913322927066E+02 -0.49167E-02 -0.14586E-02 616 0.631E-01 0.154E-01
DAV: 12 -0.913350386806E+02 -0.27460E-02 -0.28065E-03 628 0.242E-01 0.107E-01
DAV: 13 -0.913386099362E+02 -0.35713E-02 -0.22119E-03 631 0.242E-01 0.495E-02
DAV: 14 -0.913420518364E+02 -0.34419E-02 -0.96581E-04 661 0.195E-01 0.360E-02
DAV: 15 -0.913430969483E+02 -0.10451E-02 -0.23424E-04 688 0.921E-02 0.267E-02
DAV: 16 -0.913439502961E+02 -0.85335E-03 -0.16605E-04 685 0.797E-02 0.106E-02
DAV: 17 -0.913446990484E+02 -0.74875E-03 -0.73680E-05 650 0.371E-02 0.141E-02
DAV: 18 -0.913449147071E+02 -0.21566E-03 -0.20335E-05 568 0.251E-02 0.817E-03
DAV: 19 -0.913450441927E+02 -0.12949E-03 -0.39710E-05 615 0.342E-02 0.734E-03
DAV: 20 -0.913450555887E+02 -0.11396E-04 -0.40516E-06 528 0.196E-02 0.334E-03
DAV: 21 -0.913450647149E+02 -0.91261E-05 -0.49766E-06 415 0.116E-02
1 F= -.91345065E+02 E0= -.91350004E+02 d E =0.148174E-01