iterations/neb0_image04_iter100_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 0.370374597452E+03 0.37037E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.429954901854E+01 -0.36608E+03 -0.35313E+03 850 0.195E+02
DAV: 3 -0.953761562856E+02 -0.99676E+02 -0.99358E+02 677 0.116E+02
DAV: 4 -0.998184517336E+02 -0.44423E+01 -0.44315E+01 704 0.282E+01
DAV: 5 -0.999044080882E+02 -0.85956E-01 -0.85918E-01 728 0.355E+00 0.221E+01
DAV: 6 -0.914128135212E+02 0.84916E+01 -0.30007E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905630165791E+02 0.84980E+00 -0.17312E+00 712 0.625E+00 0.479E+00
DAV: 8 -0.901658823929E+02 0.39713E+00 -0.55521E-01 728 0.421E+00 0.164E+00
DAV: 9 -0.900711787543E+02 0.94704E-01 -0.13356E-01 720 0.175E+00 0.437E-01
DAV: 10 -0.900618387261E+02 0.93400E-02 -0.57874E-02 704 0.136E+00 0.350E-01
DAV: 11 -0.900659333053E+02 -0.40946E-02 -0.13847E-02 616 0.692E-01 0.139E-01
DAV: 12 -0.900679695709E+02 -0.20363E-02 -0.48263E-03 647 0.313E-01 0.138E-01
DAV: 13 -0.900714760181E+02 -0.35064E-02 -0.22215E-03 845 0.368E-01 0.758E-02
DAV: 14 -0.900751211027E+02 -0.36451E-02 -0.13181E-03 650 0.176E-01 0.642E-02
DAV: 15 -0.900774252250E+02 -0.23041E-02 -0.31786E-04 733 0.111E-01 0.391E-02
DAV: 16 -0.900791248620E+02 -0.16996E-02 -0.63184E-04 674 0.138E-01 0.329E-02
DAV: 17 -0.900800772645E+02 -0.95240E-03 -0.20451E-04 850 0.944E-02 0.145E-02
DAV: 18 -0.900803918960E+02 -0.31463E-03 -0.47803E-05 600 0.346E-02 0.709E-03
DAV: 19 -0.900805613804E+02 -0.16948E-03 -0.23010E-05 499 0.181E-02 0.433E-03
DAV: 20 -0.900805810548E+02 -0.19674E-04 -0.19536E-06 528 0.948E-03 0.372E-03
DAV: 21 -0.900806193133E+02 -0.38259E-04 -0.50189E-06 389 0.999E-03 0.217E-03
DAV: 22 -0.900806239803E+02 -0.46669E-05 -0.17848E-06 496 0.843E-03
1 F= -.90080624E+02 E0= -.90084670E+02 d E =0.121373E-01