iterations/neb0_image04_iter98_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 0.370402432546E+03 0.37040E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.431259012651E+01 -0.36609E+03 -0.35311E+03 850 0.195E+02
DAV: 3 -0.954195921734E+02 -0.99732E+02 -0.99415E+02 685 0.116E+02
DAV: 4 -0.998096554317E+02 -0.43901E+01 -0.43794E+01 704 0.278E+01
DAV: 5 -0.998947527166E+02 -0.85097E-01 -0.85059E-01 728 0.349E+00 0.222E+01
DAV: 6 -0.914077413377E+02 0.84870E+01 -0.30011E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905595650334E+02 0.84818E+00 -0.17343E+00 712 0.625E+00 0.479E+00
DAV: 8 -0.901630647129E+02 0.39650E+00 -0.55431E-01 728 0.421E+00 0.165E+00
DAV: 9 -0.900682946733E+02 0.94770E-01 -0.13404E-01 720 0.175E+00 0.436E-01
DAV: 10 -0.900589757099E+02 0.93190E-02 -0.57018E-02 704 0.135E+00 0.348E-01
DAV: 11 -0.900630257283E+02 -0.40500E-02 -0.13708E-02 616 0.685E-01 0.138E-01
DAV: 12 -0.900650144889E+02 -0.19888E-02 -0.45940E-03 647 0.307E-01 0.136E-01
DAV: 13 -0.900686696479E+02 -0.36552E-02 -0.23142E-03 853 0.371E-01 0.748E-02
DAV: 14 -0.900722041982E+02 -0.35346E-02 -0.12448E-03 650 0.169E-01 0.634E-02
DAV: 15 -0.900745122567E+02 -0.23081E-02 -0.33221E-04 733 0.114E-01 0.367E-02
DAV: 16 -0.900762105766E+02 -0.16983E-02 -0.57236E-04 677 0.129E-01 0.321E-02
DAV: 17 -0.900771458900E+02 -0.93531E-03 -0.17490E-04 839 0.850E-02 0.150E-02
DAV: 18 -0.900774552397E+02 -0.30935E-03 -0.47559E-05 600 0.330E-02 0.712E-03
DAV: 19 -0.900776224336E+02 -0.16719E-03 -0.20695E-05 505 0.179E-02 0.519E-03
DAV: 20 -0.900776385676E+02 -0.16134E-04 -0.19668E-06 536 0.822E-03 0.403E-03
DAV: 21 -0.900776839129E+02 -0.45345E-04 -0.65008E-06 403 0.128E-02 0.186E-03
DAV: 22 -0.900776902123E+02 -0.62993E-05 -0.21670E-06 496 0.802E-03
1 F= -.90077690E+02 E0= -.90081695E+02 d E =0.120138E-01