iterations/neb0_image07_iter287_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 0.372705836100E+03 0.37271E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.410225537524E+01 -0.36860E+03 -0.35770E+03 855 0.194E+02
DAV: 3 -0.963899833317E+02 -0.10049E+03 -0.10017E+03 648 0.117E+02
DAV: 4 -0.101237895626E+03 -0.48479E+01 -0.48353E+01 712 0.298E+01
DAV: 5 -0.101333858516E+03 -0.95963E-01 -0.95921E-01 728 0.379E+00 0.228E+01
DAV: 6 -0.926237894849E+02 0.87101E+01 -0.31002E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917400947296E+02 0.88369E+00 -0.17142E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.913597658073E+02 0.38033E+00 -0.53885E-01 736 0.394E+00 0.162E+00
DAV: 9 -0.912750354471E+02 0.84730E-01 -0.12899E-01 728 0.152E+00 0.424E-01
DAV: 10 -0.912653556696E+02 0.96798E-02 -0.45433E-02 749 0.109E+00 0.300E-01
DAV: 11 -0.912704626514E+02 -0.51070E-02 -0.14060E-02 605 0.616E-01 0.160E-01
DAV: 12 -0.912733124521E+02 -0.28498E-02 -0.29706E-03 622 0.232E-01 0.112E-01
DAV: 13 -0.912774960460E+02 -0.41836E-02 -0.31403E-03 638 0.292E-01 0.647E-02
DAV: 14 -0.912804643330E+02 -0.29683E-02 -0.97034E-04 688 0.182E-01 0.271E-02
DAV: 15 -0.912824573691E+02 -0.19930E-02 -0.24734E-04 648 0.710E-02 0.202E-02
DAV: 16 -0.912833262454E+02 -0.86888E-03 -0.90306E-05 664 0.576E-02 0.121E-02
DAV: 17 -0.912838639424E+02 -0.53770E-03 -0.10069E-04 629 0.455E-02 0.131E-02
DAV: 18 -0.912839715674E+02 -0.10763E-03 -0.18700E-05 640 0.326E-02 0.319E-03
DAV: 19 -0.912840504520E+02 -0.78885E-04 -0.17313E-05 412 0.222E-02 0.508E-03
DAV: 20 -0.912840743005E+02 -0.23849E-04 -0.36472E-06 488 0.939E-03 0.440E-03
DAV: 21 -0.912840796876E+02 -0.53870E-05 -0.23117E-06 464 0.111E-02
1 F= -.91284080E+02 E0= -.91288974E+02 d E =0.146828E-01