iterations/neb0_image08_iter19_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 0.371604954633E+03 0.37160E+03 -0.14258E+04 624 0.799E+02
DAV: 2 0.292971932893E+01 -0.36868E+03 -0.35655E+03 866 0.195E+02
DAV: 3 -0.960355325851E+02 -0.98965E+02 -0.98618E+02 664 0.116E+02
DAV: 4 -0.100633865279E+03 -0.45983E+01 -0.45857E+01 696 0.287E+01
DAV: 5 -0.100727179613E+03 -0.93314E-01 -0.93264E-01 736 0.368E+00 0.223E+01
DAV: 6 -0.921828053143E+02 0.85444E+01 -0.30797E+01 696 0.303E+01 0.116E+01
DAV: 7 -0.913690313132E+02 0.81377E+00 -0.16623E+00 720 0.628E+00 0.476E+00
DAV: 8 -0.910027208863E+02 0.36631E+00 -0.55888E-01 712 0.405E+00 0.164E+00
DAV: 9 -0.909197636708E+02 0.82957E-01 -0.12725E-01 704 0.156E+00 0.428E-01
DAV: 10 -0.909103981012E+02 0.93656E-02 -0.35558E-02 736 0.942E-01 0.281E-01
DAV: 11 -0.909151277910E+02 -0.47297E-02 -0.11590E-02 613 0.600E-01 0.167E-01
DAV: 12 -0.909167825876E+02 -0.16548E-02 -0.19082E-03 648 0.249E-01 0.103E-01
DAV: 13 -0.909216263558E+02 -0.48438E-02 -0.37248E-03 627 0.349E-01 0.797E-02
DAV: 14 -0.909226209370E+02 -0.99458E-03 -0.49364E-04 768 0.180E-01 0.461E-02
DAV: 15 -0.909255693806E+02 -0.29484E-02 -0.11232E-03 623 0.205E-01 0.458E-02
DAV: 16 -0.909265936160E+02 -0.10242E-02 -0.20798E-04 752 0.107E-01 0.257E-02
DAV: 17 -0.909276945303E+02 -0.11009E-02 -0.22440E-04 636 0.796E-02 0.102E-02
DAV: 18 -0.909281133489E+02 -0.41882E-03 -0.46788E-05 680 0.328E-02 0.135E-02
DAV: 19 -0.909282782263E+02 -0.16488E-03 -0.11920E-05 461 0.196E-02 0.878E-03
DAV: 20 -0.909283338931E+02 -0.55667E-04 -0.22729E-05 516 0.281E-02 0.305E-03
DAV: 21 -0.909283640093E+02 -0.30116E-04 -0.43282E-06 414 0.114E-02 0.236E-03
DAV: 22 -0.909283703671E+02 -0.63578E-05 -0.11424E-06 474 0.446E-03
1 F= -.90928370E+02 E0= -.90933686E+02 d E =0.159458E-01