./iterations/neb0_image01_iter181_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 0.365345472786E+03 0.36535E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.315081265596E+01 -0.36219E+03 -0.34925E+03 842 0.196E+02
DAV: 3 -0.955741671152E+02 -0.98725E+02 -0.98375E+02 669 0.116E+02
DAV: 4 -0.100202947277E+03 -0.46288E+01 -0.46178E+01 688 0.287E+01
DAV: 5 -0.100296110850E+03 -0.93164E-01 -0.93115E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916770397307E+02 0.86191E+01 -0.31054E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908814891496E+02 0.79555E+00 -0.18307E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905074604954E+02 0.37403E+00 -0.54972E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904249589623E+02 0.82502E-01 -0.13297E-01 712 0.167E+00 0.423E-01
DAV: 10 -0.904203168577E+02 0.46421E-02 -0.46886E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904244286013E+02 -0.41117E-02 -0.79689E-03 608 0.571E-01 0.120E-01
DAV: 12 -0.904277342291E+02 -0.33056E-02 -0.63415E-03 637 0.442E-01 0.130E-01
DAV: 13 -0.904301710622E+02 -0.24368E-02 -0.15902E-03 861 0.306E-01 0.746E-02
DAV: 14 -0.904333915137E+02 -0.32205E-02 -0.14703E-03 631 0.194E-01 0.683E-02
DAV: 15 -0.904349398687E+02 -0.15484E-02 -0.29521E-04 704 0.114E-01 0.542E-02
DAV: 16 -0.904363245172E+02 -0.13846E-02 -0.11392E-03 661 0.209E-01 0.407E-02
DAV: 17 -0.904371241121E+02 -0.79959E-03 -0.15168E-04 664 0.844E-02 0.349E-02
DAV: 18 -0.904374072501E+02 -0.28314E-03 -0.69476E-05 688 0.418E-02 0.211E-02
DAV: 19 -0.904376236857E+02 -0.21644E-03 -0.10598E-04 625 0.595E-02 0.847E-03
DAV: 20 -0.904376537310E+02 -0.30045E-04 -0.13835E-05 512 0.248E-02 0.101E-02
DAV: 21 -0.904376885368E+02 -0.34806E-04 -0.85508E-06 410 0.178E-02 0.853E-03
DAV: 22 -0.904377074397E+02 -0.18903E-04 -0.49834E-06 471 0.197E-02 0.473E-03
DAV: 23 -0.904377114567E+02 -0.40170E-05 -0.13810E-05 504 0.205E-02
1 F= -.90437711E+02 E0= -.90442995E+02 d E =0.158494E-01