./iterations/neb0_image05_iter34_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 0.370893329833E+03 0.37089E+03 -0.14304E+04 632 0.799E+02
DAV: 2 0.447277587492E+01 -0.36642E+03 -0.35520E+03 874 0.194E+02
DAV: 3 -0.931759911457E+02 -0.97649E+02 -0.97251E+02 621 0.116E+02
DAV: 4 -0.981913878085E+02 -0.50154E+01 -0.49992E+01 712 0.307E+01
DAV: 5 -0.982985130462E+02 -0.10713E+00 -0.10709E+00 704 0.401E+00 0.220E+01
DAV: 6 -0.898910141745E+02 0.84075E+01 -0.30045E+01 693 0.300E+01 0.114E+01
DAV: 7 -0.890751058723E+02 0.81591E+00 -0.16982E+00 712 0.667E+00 0.475E+00
DAV: 8 -0.886961196856E+02 0.37899E+00 -0.60364E-01 712 0.435E+00 0.166E+00
DAV: 9 -0.886068280968E+02 0.89292E-01 -0.13422E-01 720 0.189E+00 0.492E-01
DAV: 10 -0.885966776252E+02 0.10150E-01 -0.21933E-02 744 0.864E-01 0.319E-01
DAV: 11 -0.885965622723E+02 0.11535E-03 -0.11766E-02 664 0.637E-01 0.169E-01
DAV: 12 -0.885991145702E+02 -0.25523E-02 -0.29192E-03 596 0.292E-01 0.120E-01
DAV: 13 -0.886029616272E+02 -0.38471E-02 -0.22069E-03 618 0.283E-01 0.742E-02
DAV: 14 -0.886066979178E+02 -0.37363E-02 -0.81262E-04 645 0.135E-01 0.565E-02
DAV: 15 -0.886100399071E+02 -0.33420E-02 -0.84825E-04 650 0.188E-01 0.323E-02
DAV: 16 -0.886113777877E+02 -0.13379E-02 -0.16779E-04 717 0.826E-02 0.291E-02
DAV: 17 -0.886123397851E+02 -0.96200E-03 -0.20662E-04 730 0.874E-02 0.163E-02
DAV: 18 -0.886129481683E+02 -0.60838E-03 -0.94427E-05 669 0.694E-02 0.995E-03
DAV: 19 -0.886132027513E+02 -0.25458E-03 -0.28593E-05 597 0.285E-02 0.761E-03
DAV: 20 -0.886133277119E+02 -0.12496E-03 -0.25604E-05 517 0.285E-02 0.515E-03
DAV: 21 -0.886133638279E+02 -0.36116E-04 -0.45280E-06 488 0.120E-02 0.514E-03
DAV: 22 -0.886133948855E+02 -0.31058E-04 -0.50373E-06 406 0.118E-02 0.257E-03
DAV: 23 -0.886134007336E+02 -0.58480E-05 -0.25798E-06 496 0.920E-03
1 F= -.88613401E+02 E0= -.88621989E+02 d E =0.257640E-01