./iterations/neb0_image04_iter250_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 0.366750041392E+03 0.36675E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.981799235710E+00 -0.36577E+03 -0.35455E+03 855 0.195E+02
DAV: 3 -0.959204321436E+02 -0.96902E+02 -0.96610E+02 656 0.116E+02
DAV: 4 -0.100287149315E+03 -0.43667E+01 -0.43571E+01 704 0.281E+01
DAV: 5 -0.100374386742E+03 -0.87237E-01 -0.87209E-01 728 0.354E+00 0.223E+01
DAV: 6 -0.916745532385E+02 0.86998E+01 -0.31191E+01 690 0.298E+01 0.117E+01
DAV: 7 -0.908261041037E+02 0.84845E+00 -0.18318E+00 712 0.659E+00 0.485E+00
DAV: 8 -0.904199082066E+02 0.40620E+00 -0.54779E-01 704 0.459E+00 0.181E+00
DAV: 9 -0.903283421805E+02 0.91566E-01 -0.14587E-01 720 0.228E+00 0.625E-01
DAV: 10 -0.903102829463E+02 0.18059E-01 -0.44709E-02 720 0.109E+00 0.365E-01
DAV: 11 -0.903119491490E+02 -0.16662E-02 -0.15390E-02 720 0.638E-01 0.264E-01
DAV: 12 -0.903145800297E+02 -0.26309E-02 -0.35269E-03 680 0.518E-01 0.145E-01
DAV: 13 -0.903179140542E+02 -0.33340E-02 -0.30417E-03 628 0.375E-01 0.116E-01
DAV: 14 -0.903213789807E+02 -0.34649E-02 -0.16740E-03 687 0.271E-01 0.535E-02
DAV: 15 -0.903241653603E+02 -0.27864E-02 -0.77169E-04 648 0.137E-01 0.481E-02
DAV: 16 -0.903262008846E+02 -0.20355E-02 -0.45402E-04 776 0.166E-01 0.324E-02
DAV: 17 -0.903275942325E+02 -0.13933E-02 -0.31221E-04 652 0.863E-02 0.376E-02
DAV: 18 -0.903280307504E+02 -0.43652E-03 -0.93962E-05 808 0.777E-02 0.154E-02
DAV: 19 -0.903283153526E+02 -0.28460E-03 -0.13283E-04 649 0.660E-02 0.151E-02
DAV: 20 -0.903284354631E+02 -0.12011E-03 -0.96700E-06 480 0.223E-02 0.122E-02
DAV: 21 -0.903285190006E+02 -0.83537E-04 -0.35600E-05 599 0.342E-02 0.441E-03
DAV: 22 -0.903285477078E+02 -0.28707E-04 -0.42257E-06 488 0.139E-02 0.193E-03
DAV: 23 -0.903285553452E+02 -0.76373E-05 -0.21000E-06 442 0.669E-03
1 F= -.90328555E+02 E0= -.90336640E+02 d E =0.242535E-01