iterations/neb0_image07_iter238_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 0.371887384713E+03 0.37189E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.386864364070E+01 -0.36802E+03 -0.35614E+03 866 0.194E+02
DAV: 3 -0.965567016247E+02 -0.10043E+03 -0.10009E+03 688 0.116E+02
DAV: 4 -0.101155955451E+03 -0.45993E+01 -0.45866E+01 696 0.281E+01
DAV: 5 -0.101248352756E+03 -0.92397E-01 -0.92337E-01 736 0.357E+00 0.227E+01
DAV: 6 -0.925991797710E+02 0.86492E+01 -0.30719E+01 728 0.299E+01 0.119E+01
DAV: 7 -0.917392295400E+02 0.85995E+00 -0.17471E+00 728 0.620E+00 0.480E+00
DAV: 8 -0.913642894934E+02 0.37494E+00 -0.54281E-01 728 0.397E+00 0.162E+00
DAV: 9 -0.912829154182E+02 0.81374E-01 -0.13077E-01 720 0.156E+00 0.420E-01
DAV: 10 -0.912740433276E+02 0.88721E-02 -0.39894E-02 768 0.102E+00 0.287E-01
DAV: 11 -0.912785425297E+02 -0.44992E-02 -0.12076E-02 608 0.577E-01 0.148E-01
DAV: 12 -0.912814288911E+02 -0.28864E-02 -0.26102E-03 621 0.267E-01 0.846E-02
DAV: 13 -0.912853228790E+02 -0.38940E-02 -0.15940E-03 636 0.192E-01 0.551E-02
DAV: 14 -0.912880248314E+02 -0.27020E-02 -0.73124E-04 749 0.212E-01 0.429E-02
DAV: 15 -0.912900633821E+02 -0.20386E-02 -0.45035E-04 642 0.108E-01 0.374E-02
DAV: 16 -0.912909097546E+02 -0.84637E-03 -0.14803E-04 760 0.781E-02 0.158E-02
DAV: 17 -0.912918056018E+02 -0.89585E-03 -0.19241E-04 656 0.779E-02 0.186E-02
DAV: 18 -0.912920021925E+02 -0.19659E-03 -0.27654E-05 632 0.373E-02 0.984E-03
DAV: 19 -0.912921331803E+02 -0.13099E-03 -0.28158E-05 554 0.265E-02 0.311E-03
DAV: 20 -0.912921699059E+02 -0.36726E-04 -0.31976E-06 504 0.872E-03 0.281E-03
DAV: 21 -0.912921850982E+02 -0.15192E-04 -0.15351E-06 429 0.572E-03 0.228E-03
DAV: 22 -0.912921936719E+02 -0.85737E-05 -0.96818E-07 447 0.561E-03
1 F= -.91292194E+02 E0= -.91297873E+02 d E =0.170370E-01